(3-Chlorophenyl)methyl 3,6-dichloro-2-methoxybenzoate
TL;DR: (3-Chlorophenyl)methyl 3,6-dichloro-2-methoxybenzoate (CAS 101191-29-1) is a chemical compound with molecular formula C15H11Cl3O3 and molecular weight 343.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chlorophenyl)methyl 3,6-dichloro-2-methoxybenzoate
Also Known As: V 2307, dicamba 4-methoxybenzyl ester, (3-chlorophenyl)methyl 3,6-dichloro-2-methoxybenzoate, 3-chlorobenzyl 3,6-dichloro-2-methoxybenzoate, Coenzyme A, S-(5-butyl-2-pyrimidinepropanoate)
| Molecular Formula | C15H11Cl3O3 |
|---|---|
| Molecular Weight | 343.98 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.9774 |
| Heavy Atoms | 21 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 101191-29-1 |
|---|---|
| SMILES | COC1=C(C=CC(=C1C(=O)OCC2=CC(=CC=C2)Cl)Cl)Cl |
| InChIKey | TYIUNGCDRSSNIO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3-Chlorophenyl)methyl 3,6-dichloro-2-methoxybenzoate (CAS 101191-29-1), with molecular formula C15H11Cl3O3 and molecular weight 343.98 g/mol. IUPAC: (3-chlorophenyl)methyl 3,6-dichloro-2-methoxybenzoate.
Chemical Property Profile of (3-Chlorophenyl)methyl 3,6-dichloro-2-methoxybenzoate
Property Insights of (3-Chlorophenyl)methyl 3,6-dichloro-2-methoxybenzoate
The XLogP value of 5.1 indicates that (3-Chlorophenyl)methyl 3,6-dichloro-2-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, (3-Chlorophenyl)methyl 3,6-dichloro-2-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Chlorophenyl)methyl 3,6-dichloro-2-methoxybenzoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3-Chlorophenyl)methyl 3,6-dichloro-2-methoxybenzoate?
The CAS number of (3-Chlorophenyl)methyl 3,6-dichloro-2-methoxybenzoate is 101191-29-1.
What is the molecular formula of (3-Chlorophenyl)methyl 3,6-dichloro-2-methoxybenzoate?
The molecular formula of (3-Chlorophenyl)methyl 3,6-dichloro-2-methoxybenzoate is C15H11Cl3O3.
What is the molecular weight of (3-Chlorophenyl)methyl 3,6-dichloro-2-methoxybenzoate?
The molecular weight of (3-Chlorophenyl)methyl 3,6-dichloro-2-methoxybenzoate is 343.98 g/mol.
Where can I buy (3-Chlorophenyl)methyl 3,6-dichloro-2-methoxybenzoate?
You can request a quote for (3-Chlorophenyl)methyl 3,6-dichloro-2-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Chlorophenyl)methyl 3,6-dichloro-2-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Chlorophenyl)methyl 3,6-dichloro-2-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.