![4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-acetamido-4-(methylthio)butanoate structure](/static/products/139/1396993-93-3.png)
4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-acetamido-4-(methylthio)butanoate
TL;DR: 4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-acetamido-4-(methylthio)butanoate (CAS 1396993-93-3) is a chemical compound with molecular formula C19H21NO5S and molecular weight 375.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-acetamido-4-methylsulfanylbutanoate
Also Known As: 4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-acetamido-4-(methylthio)butanoate, 4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl N-acetylmethioninate, (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-acetamido-4-methylsulfanylbutanoate, 7-oxo-8-oxatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),10,12-tetraen-11-yl 2-acetamido-4-(methylsulfanyl)butanoate
| Molecular Formula | C19H21NO5S |
|---|---|
| Molecular Weight | 375.11 g/mol |
| LogP | 2.4449 |
| Topological Polar Surface Area | 85.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 375.11404 |
| Heavy Atoms | 26 |
| Complexity | 904.673 |
Chemical Identifiers
| CAS Number | 1396993-93-3 |
|---|---|
| SMILES | CC(=O)NC(CCSC)C(=O)OC1=CC2=C(C=C1)C3=C(CCC3)C(=O)O2 |
Product Overview
4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-acetamido-4-(methylthio)butanoate (CAS 1396993-93-3), with molecular formula C19H21NO5S and molecular weight 375.11 g/mol. IUPAC: (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-acetamido-4-methylsulfanylbutanoate.
Chemical Property Profile of 4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-acetamido-4-(methylthio)butanoate
Property Insights of 4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-acetamido-4-(methylthio)butanoate
The XLogP value of 2.4449 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-acetamido-4-(methylthio)butanoate. The TPSA of 85.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-acetamido-4-(methylthio)butanoate. Following Lipinski's Rule of Five, 4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-acetamido-4-(methylthio)butanoate has 1 hydrogen bond donor(s) and 6 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 4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-acetamido-4-(methylthio)butanoate?
The CAS number of 4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-acetamido-4-(methylthio)butanoate is 1396993-93-3.
What is the molecular formula of 4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-acetamido-4-(methylthio)butanoate?
The molecular formula of 4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-acetamido-4-(methylthio)butanoate is C19H21NO5S.
What is the molecular weight of 4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-acetamido-4-(methylthio)butanoate?
The molecular weight of 4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-acetamido-4-(methylthio)butanoate is 375.11 g/mol.
Where can I buy 4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-acetamido-4-(methylthio)butanoate?
You can request a quote for 4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-acetamido-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 4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-acetamido-4-(methylthio)butanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-acetamido-4-(methylthio)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.