3-Chloro-4-(dichloromethyl)-5-methoxy-2(5H)-furanone
TL;DR: 3-Chloro-4-(dichloromethyl)-5-methoxy-2(5H)-furanone (CAS 97055-38-4) is a chemical compound with molecular formula C6H5Cl3O3 and molecular weight 229.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-(dichloromethyl)-2-methoxy-2H-furan-5-one
Also Known As: 3-Chloro-4-(dichloromethyl)-5-methoxy-2(5H)-furanone, 2(5H)-FURANONE, 3-CHLORO-4-(DICHLOROMETHYL)-5-METHOXY-, 3-Chloro-4-dichloromethyl-5-methoxy-2(5H)-furanone, 4-chloro-3-(dichloromethyl)-2-methoxy-2H-furan-5-one, 3-Chloro-4-(dichloromethyl)-5-methoxyfuran-2(5H)-one
| Molecular Formula | C6H5Cl3O3 |
|---|---|
| Molecular Weight | 229.93 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.93042 |
| Heavy Atoms | 12 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 97055-38-4 |
|---|---|
| SMILES | COC1C(=C(C(=O)O1)Cl)C(Cl)Cl |
| InChIKey | KXHKUMKROPGJKP-UHFFFAOYSA-N |
Product Overview
3-Chloro-4-(dichloromethyl)-5-methoxy-2(5H)-furanone (CAS 97055-38-4), with molecular formula C6H5Cl3O3 and molecular weight 229.93 g/mol. IUPAC: 4-chloro-3-(dichloromethyl)-2-methoxy-2H-furan-5-one.
Chemical Property Profile of 3-Chloro-4-(dichloromethyl)-5-methoxy-2(5H)-furanone
Property Insights of 3-Chloro-4-(dichloromethyl)-5-methoxy-2(5H)-furanone
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-4-(dichloromethyl)-5-methoxy-2(5H)-furanone. With a topological polar surface area (TPSA) of 35.5 Ų, 3-Chloro-4-(dichloromethyl)-5-methoxy-2(5H)-furanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-(dichloromethyl)-5-methoxy-2(5H)-furanone has 0 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-methoxy-2(5H)-furanone?
The CAS number of 3-Chloro-4-(dichloromethyl)-5-methoxy-2(5H)-furanone is 97055-38-4.
What is the molecular formula of 3-Chloro-4-(dichloromethyl)-5-methoxy-2(5H)-furanone?
The molecular formula of 3-Chloro-4-(dichloromethyl)-5-methoxy-2(5H)-furanone is C6H5Cl3O3.
What is the molecular weight of 3-Chloro-4-(dichloromethyl)-5-methoxy-2(5H)-furanone?
The molecular weight of 3-Chloro-4-(dichloromethyl)-5-methoxy-2(5H)-furanone is 229.93 g/mol.
Where can I buy 3-Chloro-4-(dichloromethyl)-5-methoxy-2(5H)-furanone?
You can request a quote for 3-Chloro-4-(dichloromethyl)-5-methoxy-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-methoxy-2(5H)-furanone?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-(dichloromethyl)-5-methoxy-2(5H)-furanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.