2-Chloro-1-cyclopropyl-4,4-difluoro-3-hydroxy-but-2-en-1-one
TL;DR: 2-Chloro-1-cyclopropyl-4,4-difluoro-3-hydroxy-but-2-en-1-one (CAS 886494-05-9) is a chemical compound with molecular formula C7H7ClF2O2 and molecular weight 196.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-cyclopropyl-4,4-difluoro-3-hydroxybut-2-en-1-one
Also Known As: 2-chloro-1-cyclopropyl-4,4-difluoro-3-hydroxy-but-2-en-1-one, 2-chloro-1-cyclopropyl-4,4-difluoro-3-hydroxybut-2-en-1-one, 3-chloro-4-cyclopropyl-1,1-difluoro-4-hydroxybut-3-en-2-one
| Molecular Formula | C7H7ClF2O2 |
|---|---|
| Molecular Weight | 196.01 g/mol |
| LogP | 2.239 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.01027 |
| Heavy Atoms | 12 |
| Complexity | 233.56088 |
Chemical Identifiers
| CAS Number | 886494-05-9 |
|---|---|
| SMILES | C1CC1C(=O)C(=C(C(F)F)O)Cl |
Product Overview
2-Chloro-1-cyclopropyl-4,4-difluoro-3-hydroxy-but-2-en-1-one (CAS 886494-05-9), with molecular formula C7H7ClF2O2 and molecular weight 196.01 g/mol. IUPAC: 2-chloro-1-cyclopropyl-4,4-difluoro-3-hydroxybut-2-en-1-one.
Chemical Property Profile of 2-Chloro-1-cyclopropyl-4,4-difluoro-3-hydroxy-but-2-en-1-one
Property Insights of 2-Chloro-1-cyclopropyl-4,4-difluoro-3-hydroxy-but-2-en-1-one
The XLogP value of 2.239 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-1-cyclopropyl-4,4-difluoro-3-hydroxy-but-2-en-1-one. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Chloro-1-cyclopropyl-4,4-difluoro-3-hydroxy-but-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-1-cyclopropyl-4,4-difluoro-3-hydroxy-but-2-en-1-one has 1 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-Chloro-1-cyclopropyl-4,4-difluoro-3-hydroxy-but-2-en-1-one?
The CAS number of 2-Chloro-1-cyclopropyl-4,4-difluoro-3-hydroxy-but-2-en-1-one is 886494-05-9.
What is the molecular formula of 2-Chloro-1-cyclopropyl-4,4-difluoro-3-hydroxy-but-2-en-1-one?
The molecular formula of 2-Chloro-1-cyclopropyl-4,4-difluoro-3-hydroxy-but-2-en-1-one is C7H7ClF2O2.
What is the molecular weight of 2-Chloro-1-cyclopropyl-4,4-difluoro-3-hydroxy-but-2-en-1-one?
The molecular weight of 2-Chloro-1-cyclopropyl-4,4-difluoro-3-hydroxy-but-2-en-1-one is 196.01 g/mol.
Where can I buy 2-Chloro-1-cyclopropyl-4,4-difluoro-3-hydroxy-but-2-en-1-one?
You can request a quote for 2-Chloro-1-cyclopropyl-4,4-difluoro-3-hydroxy-but-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-1-cyclopropyl-4,4-difluoro-3-hydroxy-but-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1-cyclopropyl-4,4-difluoro-3-hydroxy-but-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.