AB00685813-01
TL;DR: AB00685813-01 (CAS 864925-77-9) is a chemical compound with molecular formula C20H23N3O5S and molecular weight 417.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-carbamoyl-2-(3-phenoxypropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
Also Known As: AB00685813-01, F1298-0037, ethyl 3-carbamoyl-2-(3-phenoxypropanamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate, ethyl 3-carbamoyl-2-(3-phenoxypropanamido)-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate, ethyl 3-carbamoyl-2-(3-phenoxypropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
| Molecular Formula | C20H23N3O5S |
|---|---|
| Molecular Weight | 417.14 g/mol |
| LogP | 2.7692 |
| Topological Polar Surface Area | 110.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 417.13583 |
| Heavy Atoms | 29 |
| Complexity | 897.02167 |
Chemical Identifiers
| CAS Number | 864925-77-9 |
|---|---|
| SMILES | CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCOC3=CC=CC=C3 |
Product Overview
AB00685813-01 (CAS 864925-77-9), with molecular formula C20H23N3O5S and molecular weight 417.14 g/mol. IUPAC: ethyl 3-carbamoyl-2-(3-phenoxypropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.
Chemical Property Profile of AB00685813-01
Property Insights of AB00685813-01
The XLogP value of 2.7692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00685813-01. The TPSA of 110.96 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685813-01. Following Lipinski's Rule of Five, AB00685813-01 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 AB00685813-01?
The CAS number of AB00685813-01 is 864925-77-9.
What is the molecular formula of AB00685813-01?
The molecular formula of AB00685813-01 is C20H23N3O5S.
What is the molecular weight of AB00685813-01?
The molecular weight of AB00685813-01 is 417.14 g/mol.
Where can I buy AB00685813-01?
You can request a quote for AB00685813-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685813-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685813-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.