3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone
TL;DR: 3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone (CAS 77439-76-0) is a chemical compound with molecular formula C5H3Cl3O3 and molecular weight 215.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-(dichloromethyl)-2-hydroxy-2H-furan-5-one
Also Known As: Mutagen X, 3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone, MX mutagen, MX (bacterial mutagen), 3-DCHFO
| Molecular Formula | C5H3Cl3O3 |
|---|---|
| Molecular Weight | 215.91 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 215.91478 |
| Heavy Atoms | 11 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 77439-76-0 |
|---|---|
| SMILES | C1(C(=C(C(=O)O1)Cl)C(Cl)Cl)O |
| InChIKey | WNTRMRXAGJOLCU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone (CAS 77439-76-0), with molecular formula C5H3Cl3O3 and molecular weight 215.91 g/mol. IUPAC: 4-chloro-3-(dichloromethyl)-2-hydroxy-2H-furan-5-one.
Chemical Property Profile of 3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone
Property Insights of 3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone. With a topological polar surface area (TPSA) of 46.5 Ų, 3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-(dichloromethyl)-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 3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone?
The CAS number of 3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone is 77439-76-0.
What is the molecular formula of 3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone?
The molecular formula of 3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone is C5H3Cl3O3.
What is the molecular weight of 3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone?
The molecular weight of 3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone is 215.91 g/mol.
Where can I buy 3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone?
You can request a quote for 3-Chloro-4-(dichloromethyl)-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 3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.