CTK6H4529
TL;DR: CTK6H4529 (CAS 330196-48-0) is a chemical compound with molecular formula C12H10ClN3O and molecular weight 247.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-hydroxy-2-(1-methylbenzimidazol-2-yl)but-2-enenitrile
Also Known As: 4-chloro-2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-oxobutanenitrile, 4-chloro-2-(1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-3-oxobutanenitrile, 4-Chloro-2-(1-methyl-1,3-dihydro-benzoimidazol-2-ylidene)-3-oxo-butyronitrile
| Molecular Formula | C12H10ClN3O |
|---|---|
| Molecular Weight | 247.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.05124 |
| Heavy Atoms | 17 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 330196-48-0 |
|---|---|
| SMILES | CN1C2=CC=CC=C2N=C1C(=C(CCl)O)C#N |
| InChIKey | DWILXDFKUQCMPO-UHFFFAOYSA-N |
Product Overview
CTK6H4529 (CAS 330196-48-0), with molecular formula C12H10ClN3O and molecular weight 247.05 g/mol. IUPAC: 4-chloro-3-hydroxy-2-(1-methylbenzimidazol-2-yl)but-2-enenitrile.
Chemical Property Profile of CTK6H4529
Property Insights of CTK6H4529
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK6H4529. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK6H4529. Following Lipinski's Rule of Five, CTK6H4529 has 1 hydrogen bond donor(s) and 3 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 CTK6H4529?
The CAS number of CTK6H4529 is 330196-48-0.
What is the molecular formula of CTK6H4529?
The molecular formula of CTK6H4529 is C12H10ClN3O.
What is the molecular weight of CTK6H4529?
The molecular weight of CTK6H4529 is 247.05 g/mol.
Where can I buy CTK6H4529?
You can request a quote for CTK6H4529 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK6H4529?
Yes, KEHONG BIO provides custom synthesis services for CTK6H4529 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.