o-Chlorobenzylmalononitrile
TL;DR: o-Chlorobenzylmalononitrile (CAS 40915-55-7) is a chemical compound with molecular formula C10H7ClN2 and molecular weight 190.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorophenyl)methyl]propanedinitrile
Also Known As: o-Chlorobenzylmalononitrile, o-Chlorobenzylomalonylonitryl, Nitrylu o-chlorobenzylomalonowego, MALONONITRILE, o-CHLOROBENZYL-, o-Chlorobenzylomalonylonitryl [Polish]
| Molecular Formula | C10H7ClN2 |
|---|---|
| Molecular Weight | 190.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.02977 |
| Heavy Atoms | 13 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 40915-55-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CC(C#N)C#N)Cl |
| InChIKey | YETVIAIVJSRDFR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
o-Chlorobenzylmalononitrile (CAS 40915-55-7), with molecular formula C10H7ClN2 and molecular weight 190.03 g/mol. IUPAC: 2-[(2-chlorophenyl)methyl]propanedinitrile.
Chemical Property Profile of o-Chlorobenzylmalononitrile
Property Insights of o-Chlorobenzylmalononitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Chlorobenzylmalononitrile. With a topological polar surface area (TPSA) of 47.6 Ų, o-Chlorobenzylmalononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Chlorobenzylmalononitrile 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 o-Chlorobenzylmalononitrile?
The CAS number of o-Chlorobenzylmalononitrile is 40915-55-7.
What is the molecular formula of o-Chlorobenzylmalononitrile?
The molecular formula of o-Chlorobenzylmalononitrile is C10H7ClN2.
What is the molecular weight of o-Chlorobenzylmalononitrile?
The molecular weight of o-Chlorobenzylmalononitrile is 190.03 g/mol.
Where can I buy o-Chlorobenzylmalononitrile?
You can request a quote for o-Chlorobenzylmalononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Chlorobenzylmalononitrile?
Yes, KEHONG BIO provides custom synthesis services for o-Chlorobenzylmalononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.