氯菌酸
TL;DR: 氯菌酸 (CAS 115-28-6) is a chemical compound with molecular formula C9H4Cl6O4 and molecular weight 385.82 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯菌酸
1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
Also Known As: CHLORENDIC ACID, HET acid, Kyselina het, Prillic acid, Chloredic acid
| Molecular Formula | C9H4Cl6O4 |
|---|---|
| Molecular Weight | 385.82 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 387.82114 |
| Heavy Atoms | 19 |
| Complexity | 487.0 |
| Melting Point | 406 to 210.0 °C |
| Density | 0.95 - Less dense than water; will float |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| Vapor Pressure | 0.00000003 [mmHg] |
Chemical Identifiers
| CAS Number | 115-28-6 |
|---|---|
| SMILES | C1(C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O)C(=O)O |
| InChIKey | DJKGDNKYTKCJKD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯菌酸 (CAS 115-28-6), with molecular formula C9H4Cl6O4 and molecular weight 385.82 g/mol. IUPAC: 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid.
Chemical Property Profile of 氯菌酸
Property Insights of 氯菌酸
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氯菌酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 氯菌酸. Following Lipinski's Rule of Five, 氯菌酸 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 氯菌酸?
The CAS number of 氯菌酸 is 115-28-6.
What is the molecular formula of 氯菌酸?
The molecular formula of 氯菌酸 is C9H4Cl6O4.
What is the molecular weight of 氯菌酸?
The molecular weight of 氯菌酸 is 385.82 g/mol.
Where can I buy 氯菌酸?
You can request a quote for 氯菌酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯菌酸?
Yes, KEHONG BIO provides custom synthesis services for 氯菌酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.