(2-Chloro-3,4-dimethoxyphenyl)acetonitrile
TL;DR: (2-Chloro-3,4-dimethoxyphenyl)acetonitrile (CAS 7537-07-7) is a chemical compound with molecular formula C10H10ClNO2 and molecular weight 211.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloro-3,4-dimethoxyphenyl)acetonitrile
Also Known As: (2-Chloro-3,4-dimethoxyphenyl)acetonitrile, 2-(2-chloro-3,4-dimethoxyphenyl)acetonitrile, ACETONITRILE, 2-Chloro-3,4-dimethoxyphenylacetonitrile, 2-Chloro-3,4-dimethoxybenzeneacetonitrile
| Molecular Formula | C10H10ClNO2 |
|---|---|
| Molecular Weight | 211.04 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.04001 |
| Heavy Atoms | 14 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 7537-07-7 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)CC#N)Cl)OC |
| InChIKey | OHKWPKQYDBARHV-UHFFFAOYSA-N |
Product Overview
(2-Chloro-3,4-dimethoxyphenyl)acetonitrile (CAS 7537-07-7), with molecular formula C10H10ClNO2 and molecular weight 211.04 g/mol. IUPAC: 2-(2-chloro-3,4-dimethoxyphenyl)acetonitrile.
Chemical Property Profile of (2-Chloro-3,4-dimethoxyphenyl)acetonitrile
Property Insights of (2-Chloro-3,4-dimethoxyphenyl)acetonitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Chloro-3,4-dimethoxyphenyl)acetonitrile. With a topological polar surface area (TPSA) of 42.3 Ų, (2-Chloro-3,4-dimethoxyphenyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Chloro-3,4-dimethoxyphenyl)acetonitrile has 0 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 (2-Chloro-3,4-dimethoxyphenyl)acetonitrile?
The CAS number of (2-Chloro-3,4-dimethoxyphenyl)acetonitrile is 7537-07-7.
What is the molecular formula of (2-Chloro-3,4-dimethoxyphenyl)acetonitrile?
The molecular formula of (2-Chloro-3,4-dimethoxyphenyl)acetonitrile is C10H10ClNO2.
What is the molecular weight of (2-Chloro-3,4-dimethoxyphenyl)acetonitrile?
The molecular weight of (2-Chloro-3,4-dimethoxyphenyl)acetonitrile is 211.04 g/mol.
Where can I buy (2-Chloro-3,4-dimethoxyphenyl)acetonitrile?
You can request a quote for (2-Chloro-3,4-dimethoxyphenyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Chloro-3,4-dimethoxyphenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (2-Chloro-3,4-dimethoxyphenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.