2-Chloroisophthalic acid
TL;DR: 2-Chloroisophthalic acid (CAS 13049-16-6) 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.
2-chlorobenzene-1,3-dicarboxylic acid
Also Known As: 2-Chloroisophthalic acid, 2-chlorobenzene-1,3-dicarboxylic acid, chloroisophthalic acid, 1,3-Benzenedicarboxylic acid, 2-chloro-, 2-Chloroisophthalicacid
| Molecular Formula | C8H5ClO4 |
|---|---|
| Molecular Weight | 199.99 g/mol |
| LogP | 1.6 |
| 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 | 206.0 |
Chemical Identifiers
| CAS Number | 13049-16-6 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)C(=O)O)Cl)C(=O)O |
| InChIKey | NJKVZDOEWYNQIO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloroisophthalic acid (CAS 13049-16-6), with molecular formula C8H5ClO4 and molecular weight 199.99 g/mol. IUPAC: 2-chlorobenzene-1,3-dicarboxylic acid.
Chemical Property Profile of 2-Chloroisophthalic acid
Property Insights of 2-Chloroisophthalic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroisophthalic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloroisophthalic acid. Following Lipinski's Rule of Five, 2-Chloroisophthalic 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 2-Chloroisophthalic acid?
The CAS number of 2-Chloroisophthalic acid is 13049-16-6.
What is the molecular formula of 2-Chloroisophthalic acid?
The molecular formula of 2-Chloroisophthalic acid is C8H5ClO4.
What is the molecular weight of 2-Chloroisophthalic acid?
The molecular weight of 2-Chloroisophthalic acid is 199.99 g/mol.
Where can I buy 2-Chloroisophthalic acid?
You can request a quote for 2-Chloroisophthalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroisophthalic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroisophthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.