2,6-Dichloro-3-methylbenzoic acid
TL;DR: 2,6-Dichloro-3-methylbenzoic acid (CAS 58671-77-5) is a chemical compound with molecular formula C8H6Cl2O2 and molecular weight 203.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dichloro-3-methylbenzoic acid
Also Known As: 2,6-dichloro-3-methylbenzoic acid, Benzoic acid, 2,6-dichloro-3-methyl-, 2,6-dichloro-3-methyl-benzoic Acid, 2,6-dichloro-3-methylbenzoicacid, 5-Nonafluorbutyl-pyrimidin-2,4-dion
| Molecular Formula | C8H6Cl2O2 |
|---|---|
| Molecular Weight | 203.97 g/mol |
| LogP | 3.00002 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.97449 |
| Heavy Atoms | 12 |
| Complexity | 334.0749 |
Chemical Identifiers
| CAS Number | 58671-77-5 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)Cl)C(=O)O)Cl |
Product Overview
2,6-Dichloro-3-methylbenzoic acid (CAS 58671-77-5), with molecular formula C8H6Cl2O2 and molecular weight 203.97 g/mol. IUPAC: 2,6-dichloro-3-methylbenzoic acid.
Chemical Property Profile of 2,6-Dichloro-3-methylbenzoic acid
Property Insights of 2,6-Dichloro-3-methylbenzoic acid
The XLogP value of 3.00002 indicates that 2,6-Dichloro-3-methylbenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2,6-Dichloro-3-methylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dichloro-3-methylbenzoic acid has 1 hydrogen bond donor(s) and 1 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 2,6-Dichloro-3-methylbenzoic acid?
The CAS number of 2,6-Dichloro-3-methylbenzoic acid is 58671-77-5.
What is the molecular formula of 2,6-Dichloro-3-methylbenzoic acid?
The molecular formula of 2,6-Dichloro-3-methylbenzoic acid is C8H6Cl2O2.
What is the molecular weight of 2,6-Dichloro-3-methylbenzoic acid?
The molecular weight of 2,6-Dichloro-3-methylbenzoic acid is 203.97 g/mol.
Where can I buy 2,6-Dichloro-3-methylbenzoic acid?
You can request a quote for 2,6-Dichloro-3-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dichloro-3-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dichloro-3-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.