(S)-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate
TL;DR: (S)-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate (CAS 956181-25-2) is a chemical compound with molecular formula C22H21NO6S and molecular weight 427.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxochromen-7-yl) (2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate
Also Known As: (S)-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate, (2-oxochromen-7-yl) 4-methylsulfanyl-2-phenylmethoxycarbonylamino-butanoate, (2-oxochromen-7-yl) (2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate
| Molecular Formula | C22H21NO6S |
|---|---|
| Molecular Weight | 427.11 g/mol |
| LogP | 3.7465 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 427.10895 |
| Heavy Atoms | 30 |
| Complexity | 1065.9158 |
Chemical Identifiers
| CAS Number | 956181-25-2 |
|---|---|
| SMILES | CSCC[C@@H](C(=O)OC1=CC2=C(C=C1)C=CC(=O)O2)NC(=O)OCC3=CC=CC=C3 |
Product Overview
(S)-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate (CAS 956181-25-2), with molecular formula C22H21NO6S and molecular weight 427.11 g/mol. IUPAC: (2-oxochromen-7-yl) (2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate.
Chemical Property Profile of (S)-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate
Property Insights of (S)-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate
The XLogP value of 3.7465 indicates that (S)-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.84 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate. Following Lipinski's Rule of Five, (S)-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (S)-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate?
The CAS number of (S)-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate is 956181-25-2.
What is the molecular formula of (S)-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate?
The molecular formula of (S)-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate is C22H21NO6S.
What is the molecular weight of (S)-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate?
The molecular weight of (S)-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate is 427.11 g/mol.
Where can I buy (S)-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate?
You can request a quote for (S)-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.