AB00685891-01
TL;DR: AB00685891-01 (CAS 1008859-86-6) is a chemical compound with molecular formula C21H22N4O2S and molecular weight 394.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
Also Known As: AB00685891-01, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamide, F1312-0035, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide, 2-(6,7-dimethyl-3-oxo(1,2,4-trihydroquinoxalin-2-yl))-N-(3-cyano(4,5,6,7-tetra hydrobenzo[b]thiophen-2-yl))acetamide
| Molecular Formula | C21H22N4O2S |
|---|---|
| Molecular Weight | 394.15 g/mol |
| LogP | 3.87682 |
| Topological Polar Surface Area | 94.02 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 394.14636 |
| Heavy Atoms | 28 |
| Complexity | 1018.38855 |
Chemical Identifiers
| CAS Number | 1008859-86-6 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)NC(=O)C(N2)CC(=O)NC3=C(C4=C(S3)CCCC4)C#N |
Product Overview
AB00685891-01 (CAS 1008859-86-6), with molecular formula C21H22N4O2S and molecular weight 394.15 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide.
Chemical Property Profile of AB00685891-01
Property Insights of AB00685891-01
The XLogP value of 3.87682 indicates that AB00685891-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.02 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685891-01. Following Lipinski's Rule of Five, AB00685891-01 has 3 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 AB00685891-01?
The CAS number of AB00685891-01 is 1008859-86-6.
What is the molecular formula of AB00685891-01?
The molecular formula of AB00685891-01 is C21H22N4O2S.
What is the molecular weight of AB00685891-01?
The molecular weight of AB00685891-01 is 394.15 g/mol.
Where can I buy AB00685891-01?
You can request a quote for AB00685891-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685891-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685891-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.