AB00685839-01
TL;DR: AB00685839-01 (CAS 864927-83-3) is a chemical compound with molecular formula C19H19N3O5S and molecular weight 401.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(6-acetyl-3-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)carbamoyl]benzoate
Also Known As: AB00685839-01, F1298-0565, methyl 4-((6-acetyl-3-carbamoyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)carbamoyl)benzoate, methyl 4-({6-acetyl-3-carbamoyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl}carbamoyl)benzoate, methyl 4-[(6-acetyl-3-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)carbamoyl]benzoate
| Molecular Formula | C19H19N3O5S |
|---|---|
| Molecular Weight | 401.10 g/mol |
| LogP | 1.7905 |
| Topological Polar Surface Area | 118.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.10455 |
| Heavy Atoms | 28 |
| Complexity | 964.69385 |
Chemical Identifiers
| CAS Number | 864927-83-3 |
|---|---|
| SMILES | CC(=O)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)C(=O)OC |
Product Overview
AB00685839-01 (CAS 864927-83-3), with molecular formula C19H19N3O5S and molecular weight 401.10 g/mol. IUPAC: methyl 4-[(6-acetyl-3-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)carbamoyl]benzoate.
Chemical Property Profile of AB00685839-01
Property Insights of AB00685839-01
The XLogP value of 1.7905 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00685839-01. The TPSA of 118.8 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685839-01. Following Lipinski's Rule of Five, AB00685839-01 has 2 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 AB00685839-01?
The CAS number of AB00685839-01 is 864927-83-3.
What is the molecular formula of AB00685839-01?
The molecular formula of AB00685839-01 is C19H19N3O5S.
What is the molecular weight of AB00685839-01?
The molecular weight of AB00685839-01 is 401.10 g/mol.
Where can I buy AB00685839-01?
You can request a quote for AB00685839-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685839-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685839-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.