AB00681141-01
TL;DR: AB00681141-01 (CAS 886949-92-4) is a chemical compound with molecular formula C17H16FN3O4S and molecular weight 377.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-carbamoyl-2-[(4-fluorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
Also Known As: AB00681141-01, F2701-0346, methyl 3-carbamoyl-2-(4-fluorobenzamido)-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate, methyl 3-carbamoyl-2-(4-fluorobenzamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate, methyl 3-carbamoyl-2-(p-fluorobenzylamino)-1-thia-6-aza-4,5,6,7-tetrahydro-6-indenecarboxylate
| Molecular Formula | C17H16FN3O4S |
|---|---|
| Molecular Weight | 377.08 g/mol |
| LogP | 2.3629 |
| Topological Polar Surface Area | 101.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 377.08456 |
| Heavy Atoms | 26 |
| Complexity | 878.8783 |
Chemical Identifiers
| CAS Number | 886949-92-4 |
|---|---|
| SMILES | COC(=O)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)F |
Product Overview
AB00681141-01 (CAS 886949-92-4), with molecular formula C17H16FN3O4S and molecular weight 377.08 g/mol. IUPAC: methyl 3-carbamoyl-2-[(4-fluorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.
Chemical Property Profile of AB00681141-01
Property Insights of AB00681141-01
The XLogP value of 2.3629 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00681141-01. The TPSA of 101.73 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00681141-01. Following Lipinski's Rule of Five, AB00681141-01 has 2 hydrogen bond donor(s) and 5 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 AB00681141-01?
The CAS number of AB00681141-01 is 886949-92-4.
What is the molecular formula of AB00681141-01?
The molecular formula of AB00681141-01 is C17H16FN3O4S.
What is the molecular weight of AB00681141-01?
The molecular weight of AB00681141-01 is 377.08 g/mol.
Where can I buy AB00681141-01?
You can request a quote for AB00681141-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00681141-01?
Yes, KEHONG BIO provides custom synthesis services for AB00681141-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.