AB00685831-01
TL;DR: AB00685831-01 (CAS 864927-63-9) is a chemical compound with molecular formula C15H14N4O5S2 and molecular weight 394.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-acetyl-2-[(5-nitrothiophene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
Also Known As: AB00685831-01, F1298-0544, 6-acetyl-2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide, 6-acetyl-2-[(5-nitrothiophene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
| Molecular Formula | C15H14N4O5S2 |
|---|---|
| Molecular Weight | 394.04 g/mol |
| LogP | 1.9736 |
| Topological Polar Surface Area | 135.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.04056 |
| Heavy Atoms | 26 |
| Complexity | 932.61194 |
Chemical Identifiers
| CAS Number | 864927-63-9 |
|---|---|
| SMILES | CC(=O)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(S3)[N+](=O)[O-] |
Product Overview
AB00685831-01 (CAS 864927-63-9), with molecular formula C15H14N4O5S2 and molecular weight 394.04 g/mol. IUPAC: 6-acetyl-2-[(5-nitrothiophene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
Chemical Property Profile of AB00685831-01
Property Insights of AB00685831-01
The XLogP value of 1.9736 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00685831-01. The TPSA of 135.64 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685831-01. Following Lipinski's Rule of Five, AB00685831-01 has 2 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 AB00685831-01?
The CAS number of AB00685831-01 is 864927-63-9.
What is the molecular formula of AB00685831-01?
The molecular formula of AB00685831-01 is C15H14N4O5S2.
What is the molecular weight of AB00685831-01?
The molecular weight of AB00685831-01 is 394.04 g/mol.
Where can I buy AB00685831-01?
You can request a quote for AB00685831-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685831-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685831-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.