Methyl 2,6-dichloro-3,4,5-trimethoxybenzoate
TL;DR: Methyl 2,6-dichloro-3,4,5-trimethoxybenzoate (CAS 75315-45-6) is a chemical compound with molecular formula C11H12Cl2O5 and molecular weight 294.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,6-dichloro-3,4,5-trimethoxybenzoate
Also Known As: METHYL 2,6-DICHLORO-3,4,5-TRIMETHOXYBENZOATE, J1.590.985D, 2,6-Dichloro-3,4,5-trimethoxybenzoic acid methyl ester
| Molecular Formula | C11H12Cl2O5 |
|---|---|
| Molecular Weight | 294.01 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.00616 |
| Heavy Atoms | 18 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 75315-45-6 |
|---|---|
| SMILES | COC1=C(C(=C(C(=C1OC)Cl)C(=O)OC)Cl)OC |
| InChIKey | FYPQLYRDGKKGOY-UHFFFAOYSA-N |
Product Overview
Methyl 2,6-dichloro-3,4,5-trimethoxybenzoate (CAS 75315-45-6), with molecular formula C11H12Cl2O5 and molecular weight 294.01 g/mol. IUPAC: methyl 2,6-dichloro-3,4,5-trimethoxybenzoate.
Chemical Property Profile of Methyl 2,6-dichloro-3,4,5-trimethoxybenzoate
Property Insights of Methyl 2,6-dichloro-3,4,5-trimethoxybenzoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,6-dichloro-3,4,5-trimethoxybenzoate. With a topological polar surface area (TPSA) of 54.0 Ų, Methyl 2,6-dichloro-3,4,5-trimethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2,6-dichloro-3,4,5-trimethoxybenzoate has 0 hydrogen bond donor(s) and 5 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 2,6-dichloro-3,4,5-trimethoxybenzoate?
The CAS number of Methyl 2,6-dichloro-3,4,5-trimethoxybenzoate is 75315-45-6.
What is the molecular formula of Methyl 2,6-dichloro-3,4,5-trimethoxybenzoate?
The molecular formula of Methyl 2,6-dichloro-3,4,5-trimethoxybenzoate is C11H12Cl2O5.
What is the molecular weight of Methyl 2,6-dichloro-3,4,5-trimethoxybenzoate?
The molecular weight of Methyl 2,6-dichloro-3,4,5-trimethoxybenzoate is 294.01 g/mol.
Where can I buy Methyl 2,6-dichloro-3,4,5-trimethoxybenzoate?
You can request a quote for Methyl 2,6-dichloro-3,4,5-trimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,6-dichloro-3,4,5-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,6-dichloro-3,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.