3,4-Dichloro-alpha-oxobenzeneacetonitrile
TL;DR: 3,4-Dichloro-alpha-oxobenzeneacetonitrile (CAS 35022-44-7) 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.
3,4-dichlorobenzoyl cyanide
Also Known As: 3,4-dichlorobenzoyl cyanide, Lamotrigine Impurity 3, Lamotrigine Impurity 24, 3,4-dichlorobenzoylcyanide, 4,5-Dichlorobenzoyl Cyanide
| 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 | 35022-44-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)C#N)Cl)Cl |
Product Overview
3,4-Dichloro-alpha-oxobenzeneacetonitrile (CAS 35022-44-7), with molecular formula C8H3Cl2NO and molecular weight 198.96 g/mol. IUPAC: 3,4-dichlorobenzoyl cyanide.
Chemical Property Profile of 3,4-Dichloro-alpha-oxobenzeneacetonitrile
Property Insights of 3,4-Dichloro-alpha-oxobenzeneacetonitrile
The XLogP value of 2.69968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dichloro-alpha-oxobenzeneacetonitrile. With a topological polar surface area (TPSA) of 40.86 Ų, 3,4-Dichloro-alpha-oxobenzeneacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dichloro-alpha-oxobenzeneacetonitrile 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 3,4-Dichloro-alpha-oxobenzeneacetonitrile?
The CAS number of 3,4-Dichloro-alpha-oxobenzeneacetonitrile is 35022-44-7.
What is the molecular formula of 3,4-Dichloro-alpha-oxobenzeneacetonitrile?
The molecular formula of 3,4-Dichloro-alpha-oxobenzeneacetonitrile is C8H3Cl2NO.
What is the molecular weight of 3,4-Dichloro-alpha-oxobenzeneacetonitrile?
The molecular weight of 3,4-Dichloro-alpha-oxobenzeneacetonitrile is 198.96 g/mol.
Where can I buy 3,4-Dichloro-alpha-oxobenzeneacetonitrile?
You can request a quote for 3,4-Dichloro-alpha-oxobenzeneacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dichloro-alpha-oxobenzeneacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dichloro-alpha-oxobenzeneacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.