2(5H)-Furanone, 3-chloro-4-(chloromethyl)-
TL;DR: 2(5H)-Furanone, 3-chloro-4-(chloromethyl)- (CAS 125974-01-8) is a chemical compound with molecular formula C5H4Cl2O2 and molecular weight 165.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-(chloromethyl)-2H-furan-5-one
Also Known As: 3-Chloro-4-(chloromethyl)-2(5H)-furanone, 4-chloro-3-(chloromethyl)-2H-furan-5-one, 2(5H)-Furanone, 3-chloro-4-(chloromethyl)-, 2(5H)-Furanone,3-chloro-4-(chloromethyl)-, 3-Chloro-4-chloromethylfuran-2(5H)-one
| Molecular Formula | C5H4Cl2O2 |
|---|---|
| Molecular Weight | 165.96 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.95883 |
| Heavy Atoms | 9 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 125974-01-8 |
|---|---|
| SMILES | C1C(=C(C(=O)O1)Cl)CCl |
| InChIKey | JYTLOAIDAIPVPW-UHFFFAOYSA-N |
Product Overview
2(5H)-Furanone, 3-chloro-4-(chloromethyl)- (CAS 125974-01-8), with molecular formula C5H4Cl2O2 and molecular weight 165.96 g/mol. IUPAC: 4-chloro-3-(chloromethyl)-2H-furan-5-one.
Chemical Property Profile of 2(5H)-Furanone, 3-chloro-4-(chloromethyl)-
Property Insights of 2(5H)-Furanone, 3-chloro-4-(chloromethyl)-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(5H)-Furanone, 3-chloro-4-(chloromethyl)-. With a topological polar surface area (TPSA) of 26.3 Ų, 2(5H)-Furanone, 3-chloro-4-(chloromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(5H)-Furanone, 3-chloro-4-(chloromethyl)- has 0 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 2(5H)-Furanone, 3-chloro-4-(chloromethyl)-?
The CAS number of 2(5H)-Furanone, 3-chloro-4-(chloromethyl)- is 125974-01-8.
What is the molecular formula of 2(5H)-Furanone, 3-chloro-4-(chloromethyl)-?
The molecular formula of 2(5H)-Furanone, 3-chloro-4-(chloromethyl)- is C5H4Cl2O2.
What is the molecular weight of 2(5H)-Furanone, 3-chloro-4-(chloromethyl)-?
The molecular weight of 2(5H)-Furanone, 3-chloro-4-(chloromethyl)- is 165.96 g/mol.
Where can I buy 2(5H)-Furanone, 3-chloro-4-(chloromethyl)-?
You can request a quote for 2(5H)-Furanone, 3-chloro-4-(chloromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(5H)-Furanone, 3-chloro-4-(chloromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2(5H)-Furanone, 3-chloro-4-(chloromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.