二氯-3,4-二羟基苯甲酸
TL;DR: 二氯-3,4-二羟基苯甲酸 (CAS 69845-51-8) is a chemical compound with molecular formula C7H4Cl2O4 and molecular weight 221.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二氯-3,4-二羟基苯甲酸
2,5-dichloro-3,4-dihydroxybenzoic acid
Also Known As: 2,5-dichloro-3,4-dihydroxybenzoic acid, Benzoic acid, dichloro-3,4-dihydroxy-, DICHLORO-3,4-DIHYDROXYBENZOIC ACID, chloro-chloro-3,4-dihydroxybenzoic acid
| Molecular Formula | C7H4Cl2O4 |
|---|---|
| Molecular Weight | 221.95 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.94867 |
| Heavy Atoms | 13 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 69845-51-8 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1Cl)O)O)Cl)C(=O)O |
| InChIKey | DPZVBCKHYREJNV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二氯-3,4-二羟基苯甲酸 (CAS 69845-51-8), with molecular formula C7H4Cl2O4 and molecular weight 221.95 g/mol. IUPAC: 2,5-dichloro-3,4-dihydroxybenzoic acid.
Chemical Property Profile of 二氯-3,4-二羟基苯甲酸
Property Insights of 二氯-3,4-二羟基苯甲酸
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二氯-3,4-二羟基苯甲酸. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 二氯-3,4-二羟基苯甲酸. Following Lipinski's Rule of Five, 二氯-3,4-二羟基苯甲酸 has 3 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 二氯-3,4-二羟基苯甲酸?
The CAS number of 二氯-3,4-二羟基苯甲酸 is 69845-51-8.
What is the molecular formula of 二氯-3,4-二羟基苯甲酸?
The molecular formula of 二氯-3,4-二羟基苯甲酸 is C7H4Cl2O4.
What is the molecular weight of 二氯-3,4-二羟基苯甲酸?
The molecular weight of 二氯-3,4-二羟基苯甲酸 is 221.95 g/mol.
Where can I buy 二氯-3,4-二羟基苯甲酸?
You can request a quote for 二氯-3,4-二羟基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二氯-3,4-二羟基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 二氯-3,4-二羟基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.