![(S)-7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate structure](/static/products/956/956044-48-7.png)
(S)-7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate
TL;DR: (S)-7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate (CAS 956044-48-7) is a chemical compound with molecular formula C23H29NO6S and molecular weight 447.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate
Also Known As: (S)-7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate, (7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate, 7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl N-(tert-butoxycarbonyl)-L-methioninate
| Molecular Formula | C23H29NO6S |
|---|---|
| Molecular Weight | 447.17 g/mol |
| LogP | 4.14192 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.17157 |
| Heavy Atoms | 31 |
| Complexity | 1052.6835 |
Chemical Identifiers
| CAS Number | 956044-48-7 |
|---|---|
| SMILES | CC1=CC2=C(C3=C(CCC3)C(=O)O2)C(=C1)OC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C |
Product Overview
(S)-7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate (CAS 956044-48-7), with molecular formula C23H29NO6S and molecular weight 447.17 g/mol. IUPAC: (7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate.
Chemical Property Profile of (S)-7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate
Property Insights of (S)-7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate
The XLogP value of 4.14192 indicates that (S)-7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl 2-((tert-butoxycarbonyl)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)-7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate. Following Lipinski's Rule of Five, (S)-7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl 2-((tert-butoxycarbonyl)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)-7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate?
The CAS number of (S)-7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate is 956044-48-7.
What is the molecular formula of (S)-7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate?
The molecular formula of (S)-7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate is C23H29NO6S.
What is the molecular weight of (S)-7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate?
The molecular weight of (S)-7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate is 447.17 g/mol.
Where can I buy (S)-7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate?
You can request a quote for (S)-7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl 2-((tert-butoxycarbonyl)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)-7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.