3-Chloro-4,5-dimethoxybenzonitrile
TL;DR: 3-Chloro-4,5-dimethoxybenzonitrile (CAS 90537-30-7) is a chemical compound with molecular formula C9H8ClNO2 and molecular weight 197.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4,5-dimethoxybenzonitrile
Also Known As: 3-Chloro-4,5-dimethoxybenzonitrile, 3-Chloro-4,5-dimethoxy-benzonitrile, 3-Chlor-4,5-dimethoxy-benzonitril, Benzonitrile, 3-chloro-4,5-dimethoxy-, 1,1,1,3,3,5,5-Heptamethyltrisiloxane
| Molecular Formula | C9H8ClNO2 |
|---|---|
| Molecular Weight | 197.02 g/mol |
| LogP | 2.22888 |
| Topological Polar Surface Area | 42.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.02435 |
| Heavy Atoms | 13 |
| Complexity | 357.3677 |
Chemical Identifiers
| CAS Number | 90537-30-7 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)C#N)Cl)OC |
Product Overview
3-Chloro-4,5-dimethoxybenzonitrile (CAS 90537-30-7), with molecular formula C9H8ClNO2 and molecular weight 197.02 g/mol. IUPAC: 3-chloro-4,5-dimethoxybenzonitrile.
Chemical Property Profile of 3-Chloro-4,5-dimethoxybenzonitrile
Property Insights of 3-Chloro-4,5-dimethoxybenzonitrile
The XLogP value of 2.22888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-4,5-dimethoxybenzonitrile. With a topological polar surface area (TPSA) of 42.25 Ų, 3-Chloro-4,5-dimethoxybenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4,5-dimethoxybenzonitrile 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 3-Chloro-4,5-dimethoxybenzonitrile?
The CAS number of 3-Chloro-4,5-dimethoxybenzonitrile is 90537-30-7.
What is the molecular formula of 3-Chloro-4,5-dimethoxybenzonitrile?
The molecular formula of 3-Chloro-4,5-dimethoxybenzonitrile is C9H8ClNO2.
What is the molecular weight of 3-Chloro-4,5-dimethoxybenzonitrile?
The molecular weight of 3-Chloro-4,5-dimethoxybenzonitrile is 197.02 g/mol.
Where can I buy 3-Chloro-4,5-dimethoxybenzonitrile?
You can request a quote for 3-Chloro-4,5-dimethoxybenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4,5-dimethoxybenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4,5-dimethoxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.