2-Chloro-4-cyano-6-methoxyphenyl benzoate
TL;DR: 2-Chloro-4-cyano-6-methoxyphenyl benzoate (CAS 902093-00-9) is a chemical compound with molecular formula C15H10ClNO3 and molecular weight 287.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloro-4-cyano-6-methoxyphenyl) benzoate
Also Known As: (2-chloro-4-cyano-6-methoxyphenyl) benzoate, 2-CHLORO-4-CYANO-6-METHOXYPHENYL BENZOATE, 4-(Benzoyloxy)-3-chloro-5-methoxybenzonitrile
| Molecular Formula | C15H10ClNO3 |
|---|---|
| Molecular Weight | 287.03 g/mol |
| LogP | 3.43948 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.0349 |
| Heavy Atoms | 20 |
| Complexity | 677.50824 |
Chemical Identifiers
| CAS Number | 902093-00-9 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)C#N)Cl)OC(=O)C2=CC=CC=C2 |
Product Overview
2-Chloro-4-cyano-6-methoxyphenyl benzoate (CAS 902093-00-9), with molecular formula C15H10ClNO3 and molecular weight 287.03 g/mol. IUPAC: (2-chloro-4-cyano-6-methoxyphenyl) benzoate.
Chemical Property Profile of 2-Chloro-4-cyano-6-methoxyphenyl benzoate
Property Insights of 2-Chloro-4-cyano-6-methoxyphenyl benzoate
The XLogP value of 3.43948 indicates that 2-Chloro-4-cyano-6-methoxyphenyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.32 Ų, 2-Chloro-4-cyano-6-methoxyphenyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4-cyano-6-methoxyphenyl benzoate has 0 hydrogen bond donor(s) and 4 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-4-cyano-6-methoxyphenyl benzoate?
The CAS number of 2-Chloro-4-cyano-6-methoxyphenyl benzoate is 902093-00-9.
What is the molecular formula of 2-Chloro-4-cyano-6-methoxyphenyl benzoate?
The molecular formula of 2-Chloro-4-cyano-6-methoxyphenyl benzoate is C15H10ClNO3.
What is the molecular weight of 2-Chloro-4-cyano-6-methoxyphenyl benzoate?
The molecular weight of 2-Chloro-4-cyano-6-methoxyphenyl benzoate is 287.03 g/mol.
Where can I buy 2-Chloro-4-cyano-6-methoxyphenyl benzoate?
You can request a quote for 2-Chloro-4-cyano-6-methoxyphenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4-cyano-6-methoxyphenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-cyano-6-methoxyphenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.