AB00685372-01
TL;DR: AB00685372-01 (CAS 477579-02-5) is a chemical compound with molecular formula C14H12N2O6S and molecular weight 336.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5-nitrofuran-2-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: AB00685372-01, F0882-1371, methyl 2-(5-nitrofuran-2-carboxamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-[(5-nitrofuran-2-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-(5-nitrofuran-2-amido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C14H12N2O6S |
|---|---|
| Molecular Weight | 336.04 g/mol |
| LogP | 2.7769 |
| Topological Polar Surface Area | 111.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.0416 |
| Heavy Atoms | 23 |
| Complexity | 806.2946 |
Chemical Identifiers
| CAS Number | 477579-02-5 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC=C(O3)[N+](=O)[O-] |
Product Overview
AB00685372-01 (CAS 477579-02-5), with molecular formula C14H12N2O6S and molecular weight 336.04 g/mol. IUPAC: methyl 2-[(5-nitrofuran-2-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of AB00685372-01
Property Insights of AB00685372-01
The XLogP value of 2.7769 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00685372-01. The TPSA of 111.68 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685372-01. Following Lipinski's Rule of Five, AB00685372-01 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 AB00685372-01?
The CAS number of AB00685372-01 is 477579-02-5.
What is the molecular formula of AB00685372-01?
The molecular formula of AB00685372-01 is C14H12N2O6S.
What is the molecular weight of AB00685372-01?
The molecular weight of AB00685372-01 is 336.04 g/mol.
Where can I buy AB00685372-01?
You can request a quote for AB00685372-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685372-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685372-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.