3,4-Dichlorobenzoic acid
TL;DR: 3,4-Dichlorobenzoic acid (CAS 51-44-5) is a chemical compound with molecular formula C7H4Cl2O2 and molecular weight 189.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dichlorobenzoic acid
Also Known As: 3,4-DICHLOROBENZOIC ACID, Benzoic acid, 3,4-dichloro-, Synstigmine, Syntostigmin, Vagostigmin
| Molecular Formula | C7H4Cl2O2 |
|---|---|
| Molecular Weight | 189.96 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.95883 |
| Heavy Atoms | 11 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 51-44-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)Cl)Cl |
| InChIKey | VPHHJAOJUJHJKD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dichlorobenzoic acid (CAS 51-44-5), with molecular formula C7H4Cl2O2 and molecular weight 189.96 g/mol. IUPAC: 3,4-dichlorobenzoic acid.
Chemical Property Profile of 3,4-Dichlorobenzoic acid
Property Insights of 3,4-Dichlorobenzoic acid
The XLogP value of 3.5 indicates that 3,4-Dichlorobenzoic 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-Dichlorobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dichlorobenzoic 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-Dichlorobenzoic acid?
The CAS number of 3,4-Dichlorobenzoic acid is 51-44-5.
What is the molecular formula of 3,4-Dichlorobenzoic acid?
The molecular formula of 3,4-Dichlorobenzoic acid is C7H4Cl2O2.
What is the molecular weight of 3,4-Dichlorobenzoic acid?
The molecular weight of 3,4-Dichlorobenzoic acid is 189.96 g/mol.
Where can I buy 3,4-Dichlorobenzoic acid?
You can request a quote for 3,4-Dichlorobenzoic 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-Dichlorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dichlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.