AB00686423-01
TL;DR: AB00686423-01 (CAS 853749-15-2) is a chemical compound with molecular formula C16H18N2O6S and molecular weight 366.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[(6-acetyl-3-ethoxycarbonyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-4-oxobut-2-enoic acid
Also Known As: AB00686423-01, F1709-0022, AS-871/43476043, (2E)-3-{[6-acetyl-3-(ethoxycarbonyl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl]carbamoyl}prop-2-enoic acid, (E)-4-((6-acetyl-3-(ethoxycarbonyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)amino)-4-oxobut-2-enoic acid
| Molecular Formula | C16H18N2O6S |
|---|---|
| Molecular Weight | 366.09 g/mol |
| LogP | 1.4087 |
| Topological Polar Surface Area | 113.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.08856 |
| Heavy Atoms | 25 |
| Complexity | 752.0513 |
Chemical Identifiers
| CAS Number | 853749-15-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)C)NC(=O)/C=C/C(=O)O |
Product Overview
AB00686423-01 (CAS 853749-15-2), with molecular formula C16H18N2O6S and molecular weight 366.09 g/mol. IUPAC: (E)-4-[(6-acetyl-3-ethoxycarbonyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of AB00686423-01
Property Insights of AB00686423-01
The XLogP value of 1.4087 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00686423-01. The TPSA of 113.01 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00686423-01. Following Lipinski's Rule of Five, AB00686423-01 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 AB00686423-01?
The CAS number of AB00686423-01 is 853749-15-2.
What is the molecular formula of AB00686423-01?
The molecular formula of AB00686423-01 is C16H18N2O6S.
What is the molecular weight of AB00686423-01?
The molecular weight of AB00686423-01 is 366.09 g/mol.
Where can I buy AB00686423-01?
You can request a quote for AB00686423-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00686423-01?
Yes, KEHONG BIO provides custom synthesis services for AB00686423-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.