3,4-Dichlorophenylacetic acid
TL;DR: 3,4-Dichlorophenylacetic acid (CAS 5807-30-7) 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-(3,4-dichlorophenyl)acetic acid
Also Known As: 3,4-Dichlorophenylacetic acid, 2-(3,4-dichlorophenyl)acetic acid, (3,4-dichlorophenyl)acetic acid, Benzeneacetic acid, 3,4-dichloro-, 3,4-Dichlorobenzene acetic acid
| Molecular Formula | C8H6Cl2O2 |
|---|---|
| Molecular Weight | 203.97 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.97449 |
| Heavy Atoms | 12 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 5807-30-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1CC(=O)O)Cl)Cl |
| InChIKey | ZOUPGSMSNQLUNW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dichlorophenylacetic acid (CAS 5807-30-7), with molecular formula C8H6Cl2O2 and molecular weight 203.97 g/mol. IUPAC: 2-(3,4-dichlorophenyl)acetic acid.
Chemical Property Profile of 3,4-Dichlorophenylacetic acid
Property Insights of 3,4-Dichlorophenylacetic acid
The XLogP value of 3.1 indicates that 3,4-Dichlorophenylacetic 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, 3,4-Dichlorophenylacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dichlorophenylacetic acid 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 3,4-Dichlorophenylacetic acid?
The CAS number of 3,4-Dichlorophenylacetic acid is 5807-30-7.
What is the molecular formula of 3,4-Dichlorophenylacetic acid?
The molecular formula of 3,4-Dichlorophenylacetic acid is C8H6Cl2O2.
What is the molecular weight of 3,4-Dichlorophenylacetic acid?
The molecular weight of 3,4-Dichlorophenylacetic acid is 203.97 g/mol.
Where can I buy 3,4-Dichlorophenylacetic acid?
You can request a quote for 3,4-Dichlorophenylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dichlorophenylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dichlorophenylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.