2-Chloromuconolactone
TL;DR: 2-Chloromuconolactone (CAS 76799-87-6) 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.
2-(4-chloro-5-oxo-2H-furan-2-yl)acetic acid
Also Known As: 2-Chloromuconolactone, 4-CHloro-2,5-dihydro-5-oxo-2-furanacetic acid, 2-(4-chloro-5-oxo-2H-furan-2-yl)acetic acid, 2-Furanacetic acid, 4-Chloro-2,5-dihydro-5-oxo-, (4-Chloro-5-oxo-2,5-dihydrofuran-2-yl)acetic acid
| Molecular Formula | C6H5ClO4 |
|---|---|
| Molecular Weight | 175.99 g/mol |
| LogP | 0.5092 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 175.98764 |
| Heavy Atoms | 11 |
| Complexity | 232.73679 |
Chemical Identifiers
| CAS Number | 76799-87-6 |
|---|---|
| SMILES | C1=C(C(=O)OC1CC(=O)O)Cl |
Product Overview
2-Chloromuconolactone (CAS 76799-87-6), with molecular formula C6H5ClO4 and molecular weight 175.99 g/mol. IUPAC: 2-(4-chloro-5-oxo-2H-furan-2-yl)acetic acid.
Chemical Property Profile of 2-Chloromuconolactone
Property Insights of 2-Chloromuconolactone
The XLogP value of 0.5092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloromuconolactone. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloromuconolactone. Following Lipinski's Rule of Five, 2-Chloromuconolactone has 1 hydrogen bond donor(s) and 3 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-Chloromuconolactone?
The CAS number of 2-Chloromuconolactone is 76799-87-6.
What is the molecular formula of 2-Chloromuconolactone?
The molecular formula of 2-Chloromuconolactone is C6H5ClO4.
What is the molecular weight of 2-Chloromuconolactone?
The molecular weight of 2-Chloromuconolactone is 175.99 g/mol.
Where can I buy 2-Chloromuconolactone?
You can request a quote for 2-Chloromuconolactone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloromuconolactone?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloromuconolactone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.