4-(Chloromethyl)-5-hydroxy-2(5H)-furanone
TL;DR: 4-(Chloromethyl)-5-hydroxy-2(5H)-furanone (CAS 125974-06-3) is a chemical compound with molecular formula C5H5ClO3 and molecular weight 147.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(chloromethyl)-2-hydroxy-2H-furan-5-one
Also Known As: 4-(Chloromethyl)-5-hydroxy-2(5H)-furanone, 3-(chloromethyl)-2-hydroxy-2H-furan-5-one, 4-Chloro-3-formyl-2-butenoic acid, CGGKPVLGRJYRIP-UHFFFAOYSA-, 2(5H)-Furanone, 4-chloromethyl-5-hydroxy-
| Molecular Formula | C5H5ClO3 |
|---|---|
| Molecular Weight | 147.99 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 147.99272 |
| Heavy Atoms | 9 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 125974-06-3 |
|---|---|
| SMILES | C1=C(C(OC1=O)O)CCl |
| InChIKey | CGGKPVLGRJYRIP-UHFFFAOYSA-N |
Product Overview
4-(Chloromethyl)-5-hydroxy-2(5H)-furanone (CAS 125974-06-3), with molecular formula C5H5ClO3 and molecular weight 147.99 g/mol. IUPAC: 3-(chloromethyl)-2-hydroxy-2H-furan-5-one.
Chemical Property Profile of 4-(Chloromethyl)-5-hydroxy-2(5H)-furanone
Property Insights of 4-(Chloromethyl)-5-hydroxy-2(5H)-furanone
The XLogP value of -0.4 indicates that 4-(Chloromethyl)-5-hydroxy-2(5H)-furanone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.5 Ų, 4-(Chloromethyl)-5-hydroxy-2(5H)-furanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Chloromethyl)-5-hydroxy-2(5H)-furanone 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 4-(Chloromethyl)-5-hydroxy-2(5H)-furanone?
The CAS number of 4-(Chloromethyl)-5-hydroxy-2(5H)-furanone is 125974-06-3.
What is the molecular formula of 4-(Chloromethyl)-5-hydroxy-2(5H)-furanone?
The molecular formula of 4-(Chloromethyl)-5-hydroxy-2(5H)-furanone is C5H5ClO3.
What is the molecular weight of 4-(Chloromethyl)-5-hydroxy-2(5H)-furanone?
The molecular weight of 4-(Chloromethyl)-5-hydroxy-2(5H)-furanone is 147.99 g/mol.
Where can I buy 4-(Chloromethyl)-5-hydroxy-2(5H)-furanone?
You can request a quote for 4-(Chloromethyl)-5-hydroxy-2(5H)-furanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Chloromethyl)-5-hydroxy-2(5H)-furanone?
Yes, KEHONG BIO provides custom synthesis services for 4-(Chloromethyl)-5-hydroxy-2(5H)-furanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.