5-氯-1,3-苯二甲酸
TL;DR: 5-氯-1,3-苯二甲酸 (CAS 2157-39-3) 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.
5-氯-1,3-苯二甲酸
5-chlorobenzene-1,3-dicarboxylic acid
Also Known As: 5-Chloroisophthalic acid, 5-chloroisophthalicacid, 5-chlorobenzene-1,3-dicarboxylic acid, 5-chloro-isophthalic acid, 1,3-Benzenedicarboxylic acid, 5-chloro-
| 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 | 2157-39-3 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(=O)O)Cl)C(=O)O |
| InChIKey | PLPFTLXIQQYOMW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-氯-1,3-苯二甲酸 (CAS 2157-39-3), with molecular formula C8H5ClO4 and molecular weight 199.99 g/mol. IUPAC: 5-chlorobenzene-1,3-dicarboxylic acid.
Chemical Property Profile of 5-氯-1,3-苯二甲酸
Property Insights of 5-氯-1,3-苯二甲酸
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-氯-1,3-苯二甲酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-氯-1,3-苯二甲酸. Following Lipinski's Rule of Five, 5-氯-1,3-苯二甲酸 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 5-氯-1,3-苯二甲酸?
The CAS number of 5-氯-1,3-苯二甲酸 is 2157-39-3.
What is the molecular formula of 5-氯-1,3-苯二甲酸?
The molecular formula of 5-氯-1,3-苯二甲酸 is C8H5ClO4.
What is the molecular weight of 5-氯-1,3-苯二甲酸?
The molecular weight of 5-氯-1,3-苯二甲酸 is 199.99 g/mol.
Where can I buy 5-氯-1,3-苯二甲酸?
You can request a quote for 5-氯-1,3-苯二甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-氯-1,3-苯二甲酸?
Yes, KEHONG BIO provides custom synthesis services for 5-氯-1,3-苯二甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.