Methyl 4-((2,4-dichlorophenoxy)methyl)benzoate
TL;DR: Methyl 4-((2,4-dichlorophenoxy)methyl)benzoate (CAS 406470-64-2) is a chemical compound with molecular formula C15H12Cl2O3 and molecular weight 310.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(2,4-dichlorophenoxy)methyl]benzoate
Also Known As: methyl 4-[(2,4-dichlorophenoxy)methyl]benzoate, Methyl 4-((2,4-dichlorophenoxy)methyl)benzoate, 4-(2,4-Dichloro-phenoxymethyl)-benzoic acid methyl ester, Benzoic acid, 4-(2,4-dichlorophenoxymethyl)-, methyl ester, RefChem:355283
| Molecular Formula | C15H12Cl2O3 |
|---|---|
| Molecular Weight | 310.02 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.01636 |
| Heavy Atoms | 20 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 406470-64-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)Cl |
| InChIKey | VCUFFWLXXIMLCC-UHFFFAOYSA-N |
Product Overview
Methyl 4-((2,4-dichlorophenoxy)methyl)benzoate (CAS 406470-64-2), with molecular formula C15H12Cl2O3 and molecular weight 310.02 g/mol. IUPAC: methyl 4-[(2,4-dichlorophenoxy)methyl]benzoate.
Chemical Property Profile of Methyl 4-((2,4-dichlorophenoxy)methyl)benzoate
Property Insights of Methyl 4-((2,4-dichlorophenoxy)methyl)benzoate
The XLogP value of 4.5 indicates that Methyl 4-((2,4-dichlorophenoxy)methyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Methyl 4-((2,4-dichlorophenoxy)methyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-((2,4-dichlorophenoxy)methyl)benzoate 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 Methyl 4-((2,4-dichlorophenoxy)methyl)benzoate?
The CAS number of Methyl 4-((2,4-dichlorophenoxy)methyl)benzoate is 406470-64-2.
What is the molecular formula of Methyl 4-((2,4-dichlorophenoxy)methyl)benzoate?
The molecular formula of Methyl 4-((2,4-dichlorophenoxy)methyl)benzoate is C15H12Cl2O3.
What is the molecular weight of Methyl 4-((2,4-dichlorophenoxy)methyl)benzoate?
The molecular weight of Methyl 4-((2,4-dichlorophenoxy)methyl)benzoate is 310.02 g/mol.
Where can I buy Methyl 4-((2,4-dichlorophenoxy)methyl)benzoate?
You can request a quote for Methyl 4-((2,4-dichlorophenoxy)methyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-((2,4-dichlorophenoxy)methyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-((2,4-dichlorophenoxy)methyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.