(S)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate
TL;DR: (S)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate (CAS 956044-78-3) is a chemical compound with molecular formula C25H27NO6S and molecular weight 469.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4,7-trimethyl-2-oxochromen-5-yl) (2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate
Also Known As: (S)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate, (3,4,7-trimethyl-2-oxo-chromen-5-yl) 4-methylsulfanyl-2-phenylmethoxycarbonylamino-butanoate, (3,4,7-trimethyl-2-oxochromen-5-yl) (2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate
| Molecular Formula | C25H27NO6S |
|---|---|
| Molecular Weight | 469.16 g/mol |
| LogP | 4.67176 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 469.1559 |
| Heavy Atoms | 33 |
| Complexity | 1204.9829 |
Chemical Identifiers
| CAS Number | 956044-78-3 |
|---|---|
| SMILES | CC1=CC2=C(C(=C(C(=O)O2)C)C)C(=C1)OC(=O)[C@H](CCSC)NC(=O)OCC3=CC=CC=C3 |
Product Overview
(S)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate (CAS 956044-78-3), with molecular formula C25H27NO6S and molecular weight 469.16 g/mol. IUPAC: (3,4,7-trimethyl-2-oxochromen-5-yl) (2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate.
Chemical Property Profile of (S)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate
Property Insights of (S)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate
The XLogP value of 4.67176 indicates that (S)-3,4,7-trimethyl-2-oxo-2H-chromen-5-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)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate. Following Lipinski's Rule of Five, (S)-3,4,7-trimethyl-2-oxo-2H-chromen-5-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)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate?
The CAS number of (S)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate is 956044-78-3.
What is the molecular formula of (S)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate?
The molecular formula of (S)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate is C25H27NO6S.
What is the molecular weight of (S)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate?
The molecular weight of (S)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate is 469.16 g/mol.
Where can I buy (S)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate?
You can request a quote for (S)-3,4,7-trimethyl-2-oxo-2H-chromen-5-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)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.