TimTec1_001531
TL;DR: TimTec1_001531 (CAS 302803-97-0) is a chemical compound with molecular formula C15H6ClN7 and molecular weight 319.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-6-[cyano(1,3-dihydrobenzimidazol-2-ylidene)methyl]pyrazine-2,3-dicarbonitrile
Also Known As: TimTec1_001531, 5-chloro-6-[cyano(1,3-dihydrobenzimidazol-2-ylidene)methyl]pyrazine-2,3-dicarbonitrile, 5-chloro-6-[cyano(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)methyl]pyrazine-2,3-dicarbonitrile, 6-chloro-5-(cyano-3-hydrobenzimidazol-2-ylidenemethyl)pyrazine-2,3-dicarbonitr ile
| Molecular Formula | C15H6ClN7 |
|---|---|
| Molecular Weight | 319.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 319.03732 |
| Heavy Atoms | 23 |
| Complexity | 643.0 |
Chemical Identifiers
| CAS Number | 302803-97-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=C(C#N)C3=NC(=C(N=C3Cl)C#N)C#N)N2 |
| InChIKey | KXUJXXIMUZZLKM-UHFFFAOYSA-N |
Product Overview
TimTec1_001531 (CAS 302803-97-0), with molecular formula C15H6ClN7 and molecular weight 319.04 g/mol. IUPAC: 5-chloro-6-[cyano(1,3-dihydrobenzimidazol-2-ylidene)methyl]pyrazine-2,3-dicarbonitrile.
Chemical Property Profile of TimTec1_001531
Property Insights of TimTec1_001531
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TimTec1_001531. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_001531. Following Lipinski's Rule of Five, TimTec1_001531 has 2 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 TimTec1_001531?
The CAS number of TimTec1_001531 is 302803-97-0.
What is the molecular formula of TimTec1_001531?
The molecular formula of TimTec1_001531 is C15H6ClN7.
What is the molecular weight of TimTec1_001531?
The molecular weight of TimTec1_001531 is 319.04 g/mol.
Where can I buy TimTec1_001531?
You can request a quote for TimTec1_001531 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_001531?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_001531 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.