Methyl 2,4,5-trichloro-6-cyano-3-phenoxybenzoate
TL;DR: Methyl 2,4,5-trichloro-6-cyano-3-phenoxybenzoate (CAS 42989-16-2) is a chemical compound with molecular formula C15H8Cl3NO3 and molecular weight 354.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,4,5-trichloro-6-cyano-3-phenoxybenzoate
Also Known As: Methyl 2,4,5-trichloro-6-cyano-3-phenoxybenzoate, EINECS 256-042-7, methyl2,4,5-trichloro-6-cyano-3-phenoxybenzoate, 3,4,6-trichloro-5-phenoxy-2-cyanobenzoic acid methyl ester
| Molecular Formula | C15H8Cl3NO3 |
|---|---|
| Molecular Weight | 354.96 g/mol |
| LogP | 5.09738 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.95697 |
| Heavy Atoms | 22 |
| Complexity | 770.08264 |
Chemical Identifiers
| CAS Number | 42989-16-2 |
|---|---|
| SMILES | COC(=O)C1=C(C(=C(C(=C1Cl)OC2=CC=CC=C2)Cl)Cl)C#N |
Product Overview
Methyl 2,4,5-trichloro-6-cyano-3-phenoxybenzoate (CAS 42989-16-2), with molecular formula C15H8Cl3NO3 and molecular weight 354.96 g/mol. IUPAC: methyl 2,4,5-trichloro-6-cyano-3-phenoxybenzoate.
Chemical Property Profile of Methyl 2,4,5-trichloro-6-cyano-3-phenoxybenzoate
Property Insights of Methyl 2,4,5-trichloro-6-cyano-3-phenoxybenzoate
The XLogP value of 5.09738 indicates that Methyl 2,4,5-trichloro-6-cyano-3-phenoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.32 Ų, Methyl 2,4,5-trichloro-6-cyano-3-phenoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2,4,5-trichloro-6-cyano-3-phenoxybenzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 2,4,5-trichloro-6-cyano-3-phenoxybenzoate?
The CAS number of Methyl 2,4,5-trichloro-6-cyano-3-phenoxybenzoate is 42989-16-2.
What is the molecular formula of Methyl 2,4,5-trichloro-6-cyano-3-phenoxybenzoate?
The molecular formula of Methyl 2,4,5-trichloro-6-cyano-3-phenoxybenzoate is C15H8Cl3NO3.
What is the molecular weight of Methyl 2,4,5-trichloro-6-cyano-3-phenoxybenzoate?
The molecular weight of Methyl 2,4,5-trichloro-6-cyano-3-phenoxybenzoate is 354.96 g/mol.
Where can I buy Methyl 2,4,5-trichloro-6-cyano-3-phenoxybenzoate?
You can request a quote for Methyl 2,4,5-trichloro-6-cyano-3-phenoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,4,5-trichloro-6-cyano-3-phenoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,4,5-trichloro-6-cyano-3-phenoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.