AB00685846-01
TL;DR: AB00685846-01 (CAS 864857-90-9) is a chemical compound with molecular formula C22H21N3O6S and molecular weight 455.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-acetyl-2-[[3-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
Also Known As: AB00685846-01, F1298-0668, methyl 6-acetyl-2-[3-(2,5-dioxopyrrolidin-1-yl)benzamido]-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate, methyl 6-acetyl-2-(3-(2,5-dioxopyrrolidin-1-yl)benzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate, methyl 6-acetyl-2-[[3-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
| Molecular Formula | C22H21N3O6S |
|---|---|
| Molecular Weight | 455.12 g/mol |
| LogP | 2.345 |
| Topological Polar Surface Area | 113.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 455.1151 |
| Heavy Atoms | 32 |
| Complexity | 1138.53 |
Chemical Identifiers
| CAS Number | 864857-90-9 |
|---|---|
| SMILES | CC(=O)N1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC(=CC=C3)N4C(=O)CCC4=O |
Product Overview
AB00685846-01 (CAS 864857-90-9), with molecular formula C22H21N3O6S and molecular weight 455.12 g/mol. IUPAC: methyl 6-acetyl-2-[[3-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.
Chemical Property Profile of AB00685846-01
Property Insights of AB00685846-01
The XLogP value of 2.345 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00685846-01. The TPSA of 113.09 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685846-01. Following Lipinski's Rule of Five, AB00685846-01 has 1 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 AB00685846-01?
The CAS number of AB00685846-01 is 864857-90-9.
What is the molecular formula of AB00685846-01?
The molecular formula of AB00685846-01 is C22H21N3O6S.
What is the molecular weight of AB00685846-01?
The molecular weight of AB00685846-01 is 455.12 g/mol.
Where can I buy AB00685846-01?
You can request a quote for AB00685846-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685846-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685846-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.