氯粘康酸
TL;DR: 氯粘康酸 (CAS 52050-02-9) is a chemical compound with molecular formula C6H5ClO4 and molecular weight 175.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯粘康酸
(2Z,4E)-2-chlorohexa-2,4-dienedioic acid
Also Known As: 2-Chloromuconic acid, Chloromuconic acid, 2-chloromuconicacid, 2-Chloro-cis,cis-muconate, alpha-Chloromuconic acid
| Molecular Formula | C6H5ClO4 |
|---|---|
| Molecular Weight | 175.99 g/mol |
| LogP | 0.8345 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 175.98764 |
| Heavy Atoms | 11 |
| Complexity | 228.73679 |
Chemical Identifiers
| CAS Number | 52050-02-9 |
|---|---|
| SMILES | C(=C/C(=O)O)\C=C(\C(=O)O)/Cl |
Product Overview
氯粘康酸 (CAS 52050-02-9), with molecular formula C6H5ClO4 and molecular weight 175.99 g/mol. IUPAC: (2Z,4E)-2-chlorohexa-2,4-dienedioic acid.
Chemical Property Profile of 氯粘康酸
Property Insights of 氯粘康酸
The XLogP value of 0.8345 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氯粘康酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 氯粘康酸. Following Lipinski's Rule of Five, 氯粘康酸 has 2 hydrogen bond donor(s) and 2 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 氯粘康酸?
The CAS number of 氯粘康酸 is 52050-02-9.
What is the molecular formula of 氯粘康酸?
The molecular formula of 氯粘康酸 is C6H5ClO4.
What is the molecular weight of 氯粘康酸?
The molecular weight of 氯粘康酸 is 175.99 g/mol.
Where can I buy 氯粘康酸?
You can request a quote for 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 氯粘康酸?
Yes, KEHONG BIO provides custom synthesis services for 氯粘康酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.