Benzeneacetic acid, 2,4-dichloro-6-methyl-
TL;DR: Benzeneacetic acid, 2,4-dichloro-6-methyl- (CAS 96259-14-2) is a chemical compound with molecular formula C9H8Cl2O2 and molecular weight 217.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dichloro-6-methylphenyl)acetic acid
Also Known As: Benzeneacetic acid, 2,4-dichloro-6-methyl-, 2,4-dichloro-6-methylphenylacetic acid, 2-(2,4-dichloro-6-methylphenyl)acetic acid, (2,4-dichloro-6-methylphenyl)acetic acid, 2-(2,4-dichloro-6-methyl-phenyl)acetic Acid
| Molecular Formula | C9H8Cl2O2 |
|---|---|
| Molecular Weight | 217.99 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.99013 |
| Heavy Atoms | 13 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 96259-14-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1CC(=O)O)Cl)Cl |
| InChIKey | CEHLPJSJHICYPH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzeneacetic acid, 2,4-dichloro-6-methyl- (CAS 96259-14-2), with molecular formula C9H8Cl2O2 and molecular weight 217.99 g/mol. IUPAC: 2-(2,4-dichloro-6-methylphenyl)acetic acid.
Chemical Property Profile of Benzeneacetic acid, 2,4-dichloro-6-methyl-
Property Insights of Benzeneacetic acid, 2,4-dichloro-6-methyl-
The XLogP value of 3.0 indicates that Benzeneacetic acid, 2,4-dichloro-6-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, Benzeneacetic acid, 2,4-dichloro-6-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, 2,4-dichloro-6-methyl- has 1 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 Benzeneacetic acid, 2,4-dichloro-6-methyl-?
The CAS number of Benzeneacetic acid, 2,4-dichloro-6-methyl- is 96259-14-2.
What is the molecular formula of Benzeneacetic acid, 2,4-dichloro-6-methyl-?
The molecular formula of Benzeneacetic acid, 2,4-dichloro-6-methyl- is C9H8Cl2O2.
What is the molecular weight of Benzeneacetic acid, 2,4-dichloro-6-methyl-?
The molecular weight of Benzeneacetic acid, 2,4-dichloro-6-methyl- is 217.99 g/mol.
Where can I buy Benzeneacetic acid, 2,4-dichloro-6-methyl-?
You can request a quote for Benzeneacetic acid, 2,4-dichloro-6-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, 2,4-dichloro-6-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 2,4-dichloro-6-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.