Methyl 3,5-dichloro-4-methoxybenzoate
TL;DR: Methyl 3,5-dichloro-4-methoxybenzoate (CAS 24295-27-0) is a chemical compound with molecular formula C9H8Cl2O3 and molecular weight 233.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,5-dichloro-4-methoxybenzoate
Also Known As: METHYL 3,5-DICHLORO-4-METHOXYBENZOATE, Dotinurad Impurity 32, Methyl 3,5-dichloro-4-methoxybenzenecarboxylate, methyl 3,5-dichloro-4-methoxy-benzoate, JS-163C
| Molecular Formula | C9H8Cl2O3 |
|---|---|
| Molecular Weight | 233.99 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.98505 |
| Heavy Atoms | 14 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 24295-27-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1Cl)C(=O)OC)Cl |
| InChIKey | SHPKLAWJDWHSCJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3,5-dichloro-4-methoxybenzoate (CAS 24295-27-0), with molecular formula C9H8Cl2O3 and molecular weight 233.99 g/mol. IUPAC: methyl 3,5-dichloro-4-methoxybenzoate.
Chemical Property Profile of Methyl 3,5-dichloro-4-methoxybenzoate
Property Insights of Methyl 3,5-dichloro-4-methoxybenzoate
The XLogP value of 3.3 indicates that Methyl 3,5-dichloro-4-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, Methyl 3,5-dichloro-4-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3,5-dichloro-4-methoxybenzoate 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 3,5-dichloro-4-methoxybenzoate?
The CAS number of Methyl 3,5-dichloro-4-methoxybenzoate is 24295-27-0.
What is the molecular formula of Methyl 3,5-dichloro-4-methoxybenzoate?
The molecular formula of Methyl 3,5-dichloro-4-methoxybenzoate is C9H8Cl2O3.
What is the molecular weight of Methyl 3,5-dichloro-4-methoxybenzoate?
The molecular weight of Methyl 3,5-dichloro-4-methoxybenzoate is 233.99 g/mol.
Where can I buy Methyl 3,5-dichloro-4-methoxybenzoate?
You can request a quote for Methyl 3,5-dichloro-4-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3,5-dichloro-4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,5-dichloro-4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.