AB00093999-01
TL;DR: AB00093999-01 (CAS 354546-58-0) is a chemical compound with molecular formula C15H14N4OS and molecular weight 298.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazine-2-carboxamide
Also Known As: AB00093999-01, N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazine-2-carboxamide, N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-pyrazinecarboxamide, N-(3-cyano-6-methyl(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))pyrazin-2-ylcarbo xamide
| Molecular Formula | C15H14N4OS |
|---|---|
| Molecular Weight | 298.09 g/mol |
| LogP | 2.78688 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.08884 |
| Heavy Atoms | 21 |
| Complexity | 717.26514 |
Chemical Identifiers
| CAS Number | 354546-58-0 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=NC=CN=C3 |
Product Overview
AB00093999-01 (CAS 354546-58-0), with molecular formula C15H14N4OS and molecular weight 298.09 g/mol. IUPAC: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazine-2-carboxamide.
Chemical Property Profile of AB00093999-01
Property Insights of AB00093999-01
The XLogP value of 2.78688 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00093999-01. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00093999-01. Following Lipinski's Rule of Five, AB00093999-01 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 AB00093999-01?
The CAS number of AB00093999-01 is 354546-58-0.
What is the molecular formula of AB00093999-01?
The molecular formula of AB00093999-01 is C15H14N4OS.
What is the molecular weight of AB00093999-01?
The molecular weight of AB00093999-01 is 298.09 g/mol.
Where can I buy AB00093999-01?
You can request a quote for AB00093999-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00093999-01?
Yes, KEHONG BIO provides custom synthesis services for AB00093999-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.