4,5-二氯邻苯二甲酸
TL;DR: 4,5-二氯邻苯二甲酸 (CAS 56962-08-4) is a chemical compound with molecular formula C8H4Cl2O4 and molecular weight 233.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-二氯邻苯二甲酸
4,5-dichlorophthalic acid
Also Known As: 4,5-Dichlorophthalic acid, 4,5-DichlorophthalicAcid, 1,2-Benzenedicarboxylic acid, 4,5-dichloro-, 4,5-dichlorobenzene-1,2-dicarboxylic acid, 4.5-Dichlorophthalic acid
| Molecular Formula | C8H4Cl2O4 |
|---|---|
| Molecular Weight | 233.95 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.94867 |
| Heavy Atoms | 14 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 56962-08-4 |
|---|---|
| SMILES | C1=C(C(=CC(=C1Cl)Cl)C(=O)O)C(=O)O |
| InChIKey | FDOQKGWUMUEJLX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-二氯邻苯二甲酸 (CAS 56962-08-4), with molecular formula C8H4Cl2O4 and molecular weight 233.95 g/mol. IUPAC: 4,5-dichlorophthalic acid.
Chemical Property Profile of 4,5-二氯邻苯二甲酸
Property Insights of 4,5-二氯邻苯二甲酸
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-二氯邻苯二甲酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-二氯邻苯二甲酸. Following Lipinski's Rule of Five, 4,5-二氯邻苯二甲酸 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 4,5-二氯邻苯二甲酸?
The CAS number of 4,5-二氯邻苯二甲酸 is 56962-08-4.
What is the molecular formula of 4,5-二氯邻苯二甲酸?
The molecular formula of 4,5-二氯邻苯二甲酸 is C8H4Cl2O4.
What is the molecular weight of 4,5-二氯邻苯二甲酸?
The molecular weight of 4,5-二氯邻苯二甲酸 is 233.95 g/mol.
Where can I buy 4,5-二氯邻苯二甲酸?
You can request a quote for 4,5-二氯邻苯二甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-二氯邻苯二甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4,5-二氯邻苯二甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.