![(S)-6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate structure](/static/products/956/956777-69-8.png)
(S)-6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate
TL;DR: (S)-6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate (CAS 956777-69-8) is a chemical compound with molecular formula C26H27NO6S and molecular weight 481.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) (2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate
Also Known As: (S)-6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate, (6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) (2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate, 6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl N-[(benzyloxy)carbonyl]-L-methioninate, 6-METHYL-4-OXO-1H,2H,3H,4H-CYCLOPENTA[C]CHROMEN-7-YL 2-{[(BENZYLOXY)CARBONYL]AMINO}-4-(METHYLSULFANYL)BUTANOATE
| Molecular Formula | C26H27NO6S |
|---|---|
| Molecular Weight | 481.16 g/mol |
| LogP | 4.54362 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 481.1559 |
| Heavy Atoms | 34 |
| Complexity | 1253.6208 |
Chemical Identifiers
| CAS Number | 956777-69-8 |
|---|---|
| SMILES | CC1=C(C=CC2=C1OC(=O)C3=C2CCC3)OC(=O)[C@H](CCSC)NC(=O)OCC4=CC=CC=C4 |
Product Overview
(S)-6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate (CAS 956777-69-8), with molecular formula C26H27NO6S and molecular weight 481.16 g/mol. IUPAC: (6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) (2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate.
Chemical Property Profile of (S)-6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate
Property Insights of (S)-6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate
The XLogP value of 4.54362 indicates that (S)-6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]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)-6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate. Following Lipinski's Rule of Five, (S)-6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]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)-6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate?
The CAS number of (S)-6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate is 956777-69-8.
What is the molecular formula of (S)-6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate?
The molecular formula of (S)-6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate is C26H27NO6S.
What is the molecular weight of (S)-6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate?
The molecular weight of (S)-6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate is 481.16 g/mol.
Where can I buy (S)-6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate?
You can request a quote for (S)-6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]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)-6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.