AB00685826-01
TL;DR: AB00685826-01 (CAS 864927-08-2) is a chemical compound with molecular formula C22H19N3O3S and molecular weight 405.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-cyano-2-(naphthalene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
Also Known As: AB00685826-01, F1298-0380, ethyl 3-cyano-2-(naphthalene-2-amido)-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate, ethyl 2-(2-naphthamido)-3-cyano-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate, ethyl 3-cyano-2-(naphthalene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
| Molecular Formula | C22H19N3O3S |
|---|---|
| Molecular Weight | 405.11 g/mol |
| LogP | 4.53988 |
| Topological Polar Surface Area | 82.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.11472 |
| Heavy Atoms | 29 |
| Complexity | 1145.9003 |
Chemical Identifiers
| CAS Number | 864927-08-2 |
|---|---|
| SMILES | CCOC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC4=CC=CC=C4C=C3 |
Product Overview
AB00685826-01 (CAS 864927-08-2), with molecular formula C22H19N3O3S and molecular weight 405.11 g/mol. IUPAC: ethyl 3-cyano-2-(naphthalene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.
Chemical Property Profile of AB00685826-01
Property Insights of AB00685826-01
The XLogP value of 4.53988 indicates that AB00685826-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.43 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685826-01. Following Lipinski's Rule of Five, AB00685826-01 has 1 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 AB00685826-01?
The CAS number of AB00685826-01 is 864927-08-2.
What is the molecular formula of AB00685826-01?
The molecular formula of AB00685826-01 is C22H19N3O3S.
What is the molecular weight of AB00685826-01?
The molecular weight of AB00685826-01 is 405.11 g/mol.
Where can I buy AB00685826-01?
You can request a quote for AB00685826-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685826-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685826-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.