Alternatived Products of [ 2488-15-5 ]
Product Details of [ 2488-15-5 ]
CAS No. : 2488-15-5
MDL No. : MFCD00065586
Formula :
C10 H19 NO4 S
Boiling Point :
-
Linear Structure Formula : -
InChI Key : IMUSLIHRIYOHEV-ZETCQYMHSA-N
M.W :
249.33
Pubchem ID : 89857
Synonyms :
Chemical Name : Boc-Met-OH
Calculated chemistry of [ 2488-15-5 ] Expand+
Physicochemical Properties
Num. heavy atoms :
16
Num. arom. heavy atoms :
0
Fraction Csp3 :
0.8
Num. rotatable bonds :
8
Num. H-bond acceptors :
4.0
Num. H-bond donors :
2.0
Molar Refractivity :
64.06
TPSA :
100.93 ?2
Pharmacokinetics
GI absorption :
High
BBB permeant :
No
P-gp substrate :
No
CYP1A2 inhibitor :
No
CYP2C19 inhibitor :
No
CYP2C9 inhibitor :
No
CYP2D6 inhibitor :
No
CYP3A4 inhibitor :
No
Log Kp (skin permeation) :
-6.71 cm/s
Lipophilicity
Log Po/w (iLOGP) :
2.03
Log Po/w (XLOGP3) :
1.56
Log Po/w (WLOGP) :
1.72
Log Po/w (MLOGP) :
1.13
Log Po/w (SILICOS-IT) :
0.82
Consensus Log Po/w :
1.45
Druglikeness
Lipinski :
0.0
Ghose :
None
Veber :
0.0
Egan :
0.0
Muegge :
0.0
Bioavailability Score :
0.56
Water Solubility
Log S (ESOL) :
-1.84
Solubility :
3.6 mg/ml ; 0.0144 mol/l
Class :
Very soluble
Log S (Ali) :
-3.29
Solubility :
0.128 mg/ml ; 0.000513 mol/l
Class :
Soluble
Log S (SILICOS-IT) :
-1.57
Solubility :
6.76 mg/ml ; 0.0271 mol/l
Class :
Soluble
Medicinal Chemistry
PAINS :
0.0 alert
Brenk :
0.0 alert
Leadlikeness :
2.0
Synthetic accessibility :
3.15
Safety of [ 2488-15-5 ]
Signal Word: Warning
Class: N/A
Precautionary Statements: P305+P351+P338
UN#: N/A
Hazard Statements: H319
Packing Group: N/A
GHS Pictogram:
Application In Synthesis of [ 2488-15-5 ]
* 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.
Downstream synthetic route of [ 2488-15-5 ]
1
[ 2488-15-5 ]
[ 7536-58-5 ]
[ 13734-34-4 ]
[ 47355-10-2 ]
Boc-Gly
[ No CAS ]
[ 23446-11-9 ]
2
[ 2488-15-5 ]
[ 7536-58-5 ]
[ 13734-34-4 ]
[ 47355-10-2 ]
Boc-Gly-OH, 1-<3-(4-hydroxyphenyl)-1-oxopropoxy>-2,5-pyrrolidinedione
[ No CAS ]
[ 72163-37-2 ]
3
[ 2488-15-5 ]
[ 7536-58-5 ]
[ 13734-34-4 ]
[ 47355-10-2 ]
Boc-Gly-OH, 1-<3-<(4-carboxymethyl)phenyl>-1-oxopropoxy>-2,5-pyrrolidinedione
[ No CAS ]
[ 127153-35-9 ]
4
[ 2488-15-5 ]
[ 7536-58-5 ]
[ 13734-34-4 ]
[ 47355-10-2 ]
Boc-Gly-OH, 4-<5-(1,1-dimethylethyl)-2H-tetrazol-5-yl>benzenepropanoic acid
[ No CAS ]
[ 127153-43-9 ]
5
[ 2488-15-5 ]
[ 7536-58-5 ]
[ 13734-34-4 ]
[ 47355-10-2 ]
Boc-Gly-OH, (+/-)-α-(acetylamino)-4-<2-(1,1-dimethylethyl)-2H-tetrazol-5-yl>benzenepropanoic acid
[ No CAS ]
[ 127153-30-4 ]
[ 127153-31-5 ]
6
[ 2488-15-5 ]
[ 7536-58-5 ]
[ 13734-34-4 ]
[ 47355-10-2 ]
Boc-Gly-OH, (+/-)-α-(acetylamino)-4-<<2-(1,1-dimethylethyl)-2H-tetrazol-5-yl>methyl>benzenepropanoic acid
[ No CAS ]
[ 127153-37-1 ]
[ 127153-38-2 ]
7
[ 2488-15-5 ]
[ 7536-58-5 ]
[ 13734-34-4 ]
[ 47355-10-2 ]
Boc-Gly-OH, Boc-Tyr(2,6-Cl2 -Bzl)-OH, acetic anhydride
[ No CAS ]
[ 143618-03-5 ]
8
[ 2488-15-5 ]
[ 7536-58-5 ]
[ 13734-34-4 ]
[ 47355-10-2 ]
Boc-β-Ala-OH, Boc-Tyr(2,6-Cl2-Bzl)-OH, acetic anhydride
[ No CAS ]
[ 143631-74-7 ]
9
[ 2488-15-5 ]
[ 7536-58-5 ]
[ 13734-34-4 ]
[ 47355-10-2 ]
Boc-NHCH2 CH2 CH2 CH2 COOH, Boc-Tyr(2,6-Cl2 -Bzl)-OH, acetic anhydride
[ No CAS ]
[ 143618-05-7 ]
10
[ 2488-15-5 ]
[ 7536-58-5 ]
[ 13734-34-4 ]
[ 47355-10-2 ]
Boc-NHCH2 CH2 CH2 COOH, Boc-Tyr(2,6-Cl2 -Bzl)-OH, acetic anhydride
[ No CAS ]
[ 143618-04-6 ]
11
[ 2488-15-5 ]
[ 7536-58-5 ]
[ 13734-34-4 ]
[ 47355-10-2 ]
Boc-NHCH2 CH2 CH2 CH2 CH2 COOH, Boc-Tyr(2,6-Cl2 -Bzl)-OH, acetic anhydride
[ No CAS ]
[ 143618-06-8 ]
12
[ 2488-15-5 ]
[ 13734-34-4 ]
[ 47355-10-2 ]
[ 131570-56-4 ]
t-Boc-Leu-OCH2-phenylacetamidomethyl resin, t-Boc-Asp-(β-OFm)-OH
[ No CAS ]
(1S,4S,7S,10S,13S,16S)-7-Benzyl-10-(1H-indol-3-ylmethyl)-4-isobutyl-16-(2-methylsulfanyl-ethyl)-2,5,8,11,14,17,20-heptaaza-bicyclo[11.5.4]docosane-3,6,9,12,15,18,21-heptaone
[ No CAS ]