Methyl 2,3,5,6-tetrachlorobenzoate
TL;DR: Methyl 2,3,5,6-tetrachlorobenzoate (CAS 15212-17-6) is a chemical compound with molecular formula C8H4Cl4O2 and molecular weight 271.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,3,5,6-tetrachlorobenzoate
Also Known As: methyl 2,3,5,6-tetrachlorobenzoate, potassium (naphthalen-1-yl)acetate, Benzoic acid, 2,3,5,6-tetrachloro-, methyl ester
| Molecular Formula | C8H4Cl4O2 |
|---|---|
| Molecular Weight | 271.90 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.89655 |
| Heavy Atoms | 14 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 15212-17-6 |
|---|---|
| SMILES | COC(=O)C1=C(C(=CC(=C1Cl)Cl)Cl)Cl |
| InChIKey | QFUXTUQESRNDNO-UHFFFAOYSA-N |
Product Overview
Methyl 2,3,5,6-tetrachlorobenzoate (CAS 15212-17-6), with molecular formula C8H4Cl4O2 and molecular weight 271.90 g/mol. IUPAC: methyl 2,3,5,6-tetrachlorobenzoate.
Chemical Property Profile of Methyl 2,3,5,6-tetrachlorobenzoate
Property Insights of Methyl 2,3,5,6-tetrachlorobenzoate
The XLogP value of 4.3 indicates that Methyl 2,3,5,6-tetrachlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2,3,5,6-tetrachlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2,3,5,6-tetrachlorobenzoate has 0 hydrogen bond donor(s) and 2 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 2,3,5,6-tetrachlorobenzoate?
The CAS number of Methyl 2,3,5,6-tetrachlorobenzoate is 15212-17-6.
What is the molecular formula of Methyl 2,3,5,6-tetrachlorobenzoate?
The molecular formula of Methyl 2,3,5,6-tetrachlorobenzoate is C8H4Cl4O2.
What is the molecular weight of Methyl 2,3,5,6-tetrachlorobenzoate?
The molecular weight of Methyl 2,3,5,6-tetrachlorobenzoate is 271.90 g/mol.
Where can I buy Methyl 2,3,5,6-tetrachlorobenzoate?
You can request a quote for Methyl 2,3,5,6-tetrachlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,3,5,6-tetrachlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,3,5,6-tetrachlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.