2,4-二氯粘康酸
TL;DR: 2,4-二氯粘康酸 (CAS 72945-11-0) is a chemical compound with molecular formula C6H4Cl2O4 and molecular weight 209.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-二氯粘康酸
2,4-dichlorohexa-2,4-dienedioic acid
Also Known As: 2,4-dichloromuconic acid, 2,4-dichlorohexa-2,4-dienedioic acid, 2,4-Hexadienedioic acid, 2,4-dichloro-, (E,E)-, 2,4-Hexadienedioic acid, 2,4-dichloro-, (2Z,4Z)-, 2,4-Hexadienedioicacid, 2,4-dichloro-, (2E,4E)-
| Molecular Formula | C6H4Cl2O4 |
|---|---|
| Molecular Weight | 209.95 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.94867 |
| Heavy Atoms | 12 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 72945-11-0 |
|---|---|
| SMILES | C(=C(C=C(C(=O)O)Cl)Cl)C(=O)O |
| InChIKey | FHXOPKKNGKBBKG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-二氯粘康酸 (CAS 72945-11-0), with molecular formula C6H4Cl2O4 and molecular weight 209.95 g/mol. IUPAC: 2,4-dichlorohexa-2,4-dienedioic acid.
Chemical Property Profile of 2,4-二氯粘康酸
Property Insights of 2,4-二氯粘康酸
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-二氯粘康酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-二氯粘康酸. Following Lipinski's Rule of Five, 2,4-二氯粘康酸 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 2,4-二氯粘康酸?
The CAS number of 2,4-二氯粘康酸 is 72945-11-0.
What is the molecular formula of 2,4-二氯粘康酸?
The molecular formula of 2,4-二氯粘康酸 is C6H4Cl2O4.
What is the molecular weight of 2,4-二氯粘康酸?
The molecular weight of 2,4-二氯粘康酸 is 209.95 g/mol.
Where can I buy 2,4-二氯粘康酸?
You can request a quote for 2,4-二氯粘康酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-二氯粘康酸?
Yes, KEHONG BIO provides custom synthesis services for 2,4-二氯粘康酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.