![(S)-8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate structure](/static/products/103/1039680-10-8.png)
(S)-8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate
TL;DR: (S)-8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate (CAS 1039680-10-8) is a chemical compound with molecular formula C25H24ClNO6S and molecular weight 501.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-chloro-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) (2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate
Also Known As: (S)-8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate, (8-chloro-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) (2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate
| Molecular Formula | C25H24ClNO6S |
|---|---|
| Molecular Weight | 501.10 g/mol |
| LogP | 4.8886 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 501.1013 |
| Heavy Atoms | 34 |
| Complexity | 1259.7358 |
Chemical Identifiers
| CAS Number | 1039680-10-8 |
|---|---|
| SMILES | CSCC[C@@H](C(=O)OC1=C(C=C2C3=C(CCC3)C(=O)OC2=C1)Cl)NC(=O)OCC4=CC=CC=C4 |
Product Overview
(S)-8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate (CAS 1039680-10-8), with molecular formula C25H24ClNO6S and molecular weight 501.10 g/mol. IUPAC: (8-chloro-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) (2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate.
Chemical Property Profile of (S)-8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate
Property Insights of (S)-8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate
The XLogP value of 4.8886 indicates that (S)-8-chloro-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)-8-chloro-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)-8-chloro-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), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (S)-8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate?
The CAS number of (S)-8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate is 1039680-10-8.
What is the molecular formula of (S)-8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate?
The molecular formula of (S)-8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate is C25H24ClNO6S.
What is the molecular weight of (S)-8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate?
The molecular weight of (S)-8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate is 501.10 g/mol.
Where can I buy (S)-8-chloro-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)-8-chloro-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)-8-chloro-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)-8-chloro-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.