2,5-Dichlorobenzoyl cyanide
TL;DR: 2,5-Dichlorobenzoyl cyanide (CAS 64985-85-9) is a chemical compound with molecular formula C8H3Cl2NO and molecular weight 198.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dichlorobenzoyl cyanide
Also Known As: 2,5-dichlorobenzoyl cyanide, Lamotrigine Impurity 4, 2,5-Dichlorobenzoylcyanide, Lamotrigine Impurity 29, (2,5-Dichlorophenyl)oxoacetonitrile
| Molecular Formula | C8H3Cl2NO |
|---|---|
| Molecular Weight | 198.96 g/mol |
| LogP | 2.69968 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.95917 |
| Heavy Atoms | 12 |
| Complexity | 367.81088 |
Chemical Identifiers
| CAS Number | 64985-85-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)C(=O)C#N)Cl |
Product Overview
2,5-Dichlorobenzoyl cyanide (CAS 64985-85-9), with molecular formula C8H3Cl2NO and molecular weight 198.96 g/mol. IUPAC: 2,5-dichlorobenzoyl cyanide.
Chemical Property Profile of 2,5-Dichlorobenzoyl cyanide
Property Insights of 2,5-Dichlorobenzoyl cyanide
The XLogP value of 2.69968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dichlorobenzoyl cyanide. With a topological polar surface area (TPSA) of 40.86 Ų, 2,5-Dichlorobenzoyl cyanide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dichlorobenzoyl cyanide has 0 hydrogen bond donor(s) and 2 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 2,5-Dichlorobenzoyl cyanide?
The CAS number of 2,5-Dichlorobenzoyl cyanide is 64985-85-9.
What is the molecular formula of 2,5-Dichlorobenzoyl cyanide?
The molecular formula of 2,5-Dichlorobenzoyl cyanide is C8H3Cl2NO.
What is the molecular weight of 2,5-Dichlorobenzoyl cyanide?
The molecular weight of 2,5-Dichlorobenzoyl cyanide is 198.96 g/mol.
Where can I buy 2,5-Dichlorobenzoyl cyanide?
You can request a quote for 2,5-Dichlorobenzoyl cyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dichlorobenzoyl cyanide?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dichlorobenzoyl cyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.