4-Chlorophthalic acid
TL;DR: 4-Chlorophthalic acid (CAS 89-20-3) is a chemical compound with molecular formula C8H5ClO4 and molecular weight 199.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chlorophthalic acid
Also Known As: 4-CHLOROPHTHALIC ACID, 4-Chlorophthalicacid, Phthalic acid, 4-chloro-, 4-Chloro-phthalic acid, 4-chlorphthalsyre
| Molecular Formula | C8H5ClO4 |
|---|---|
| Molecular Weight | 199.99 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.98764 |
| Heavy Atoms | 13 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 89-20-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)C(=O)O)C(=O)O |
| InChIKey | DVIPPHSQIBKWSA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chlorophthalic acid (CAS 89-20-3), with molecular formula C8H5ClO4 and molecular weight 199.99 g/mol. IUPAC: 4-chlorophthalic acid.
Chemical Property Profile of 4-Chlorophthalic acid
Property Insights of 4-Chlorophthalic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chlorophthalic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chlorophthalic acid. Following Lipinski's Rule of Five, 4-Chlorophthalic acid has 2 hydrogen bond donor(s) and 4 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 4-Chlorophthalic acid?
The CAS number of 4-Chlorophthalic acid is 89-20-3.
What is the molecular formula of 4-Chlorophthalic acid?
The molecular formula of 4-Chlorophthalic acid is C8H5ClO4.
What is the molecular weight of 4-Chlorophthalic acid?
The molecular weight of 4-Chlorophthalic acid is 199.99 g/mol.
Where can I buy 4-Chlorophthalic acid?
You can request a quote for 4-Chlorophthalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorophthalic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorophthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.