天堂网亚洲,天天操天天搞,91视频高清,菠萝蜜视频在线观看入口,美女视频性感美女视频,95丝袜美女视频国产,超高清美女视频图片

Home Cart 0 Sign in  

[ CAS No. 94015-05-1 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 94015-05-1
Chemical Structure| 94015-05-1
Structure of 94015-05-1 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 94015-05-1 ]

Related Doc. of [ 94015-05-1 ]

Alternatived Products of [ 94015-05-1 ]
Product Citations

Product Details of [ 94015-05-1 ]

CAS No. :94015-05-1 MDL No. :MFCD00832700
Formula : C7H8ClNO2 Boiling Point : -
Linear Structure Formula :- InChI Key :QNKFCIXWPNMUAH-UHFFFAOYSA-N
M.W : 173.60 Pubchem ID :2796506
Synonyms :

Calculated chemistry of [ 94015-05-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.14
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 43.13
TPSA : 50.19 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.27 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 1.54
Log Po/w (WLOGP) : 1.89
Log Po/w (MLOGP) : -0.45
Log Po/w (SILICOS-IT) : 1.17
Consensus Log Po/w : 0.83

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -2.22
Solubility : 1.04 mg/ml ; 0.00597 mol/l
Class : Soluble
Log S (Ali) : -2.2
Solubility : 1.09 mg/ml ; 0.00626 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.76
Solubility : 3.04 mg/ml ; 0.0175 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.14

Safety of [ 94015-05-1 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 94015-05-1 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 94015-05-1 ]
  • Downstream synthetic route of [ 94015-05-1 ]

[ 94015-05-1 ] Synthesis Path-Upstream   1~3

  • 1
  • [ 68981-84-0 ]
  • [ 94015-05-1 ]
Reference: [1] Journal of Pharmaceutical Sciences, 1992, vol. 81, # 10, p. 1015 - 1019
  • 2
  • [ 68981-86-2 ]
  • [ 94015-05-1 ]
Reference: [1] Journal of Pharmaceutical Sciences, 1992, vol. 81, # 10, p. 1015 - 1019
  • 3
  • [ 583-58-4 ]
  • [ 94015-05-1 ]
Reference: [1] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1984, # 7, p. 1501 - 1505
[2] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1984, # 7, p. 1501 - 1505
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 94015-05-1 ]

Carboxylic Acids

Chemical Structure| 52830-20-3

[ 52830-20-3 ]

4-Ethylnicotinic acid

Similarity: 0.94

Chemical Structure| 22047-86-5

[ 22047-86-5 ]

4,6-Dimethylnicotinic acid

Similarity: 0.93

Chemical Structure| 4021-12-9

[ 4021-12-9 ]

3-Methylisonicotinic acid

Similarity: 0.91

Chemical Structure| 7159-36-6

[ 7159-36-6 ]

Isoquinoline-4-carboxylic acid

Similarity: 0.88

Chemical Structure| 4080-54-0

[ 4080-54-0 ]

3-Ethylisonicotinic acid

Similarity: 0.88

Related Parent Nucleus of
[ 94015-05-1 ]

Pyridines

Chemical Structure| 52830-20-3

[ 52830-20-3 ]

4-Ethylnicotinic acid

Similarity: 0.94

Chemical Structure| 22047-86-5

[ 22047-86-5 ]

4,6-Dimethylnicotinic acid

Similarity: 0.93

Chemical Structure| 33402-75-4

[ 33402-75-4 ]

Methyl 4-methylnicotinate

Similarity: 0.91

Chemical Structure| 4021-12-9

[ 4021-12-9 ]

3-Methylisonicotinic acid

Similarity: 0.91

Chemical Structure| 4080-54-0

[ 4080-54-0 ]

3-Ethylisonicotinic acid

Similarity: 0.88

; ;