Chloranilic acid
TL;DR: Chloranilic acid (CAS 87-88-7) is a chemical compound with molecular formula C6H2Cl2O4 and molecular weight 207.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione
Also Known As: Chloranilic acid, p-Chloranilic acid, CHLORANILICACID, 2,5-Dichloro-3,6-dihydroxy-p-benzoquinone, 2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione
| Molecular Formula | C6H2Cl2O4 |
|---|---|
| Molecular Weight | 207.93 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 207.93301 |
| Heavy Atoms | 12 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 87-88-7 |
|---|---|
| SMILES | C1(=C(C(=O)C(=C(C1=O)Cl)O)Cl)O |
| InChIKey | IPPWILKGXFOXHO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chloranilic acid (CAS 87-88-7), with molecular formula C6H2Cl2O4 and molecular weight 207.93 g/mol. IUPAC: 2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of Chloranilic acid
Property Insights of Chloranilic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chloranilic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Chloranilic acid. Following Lipinski's Rule of Five, Chloranilic 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 Chloranilic acid?
The CAS number of Chloranilic acid is 87-88-7.
What is the molecular formula of Chloranilic acid?
The molecular formula of Chloranilic acid is C6H2Cl2O4.
What is the molecular weight of Chloranilic acid?
The molecular weight of Chloranilic acid is 207.93 g/mol.
Where can I buy Chloranilic acid?
You can request a quote for Chloranilic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloranilic acid?
Yes, KEHONG BIO provides custom synthesis services for Chloranilic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.