(1E)-1-Chloro-1-penten-3-one
TL;DR: (1E)-1-Chloro-1-penten-3-one (CAS 105-32-8) is a chemical compound with molecular formula C5H7ClO and molecular weight 118.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-chloropent-1-en-3-one
Also Known As: 2-Chlorovinyl ethyl ketone, (E)-1-chloropent-1-en-3-one, (1e)-1-chloropent-1-en-3-one, trans-1-Chloro-1-penten-3-one, 1-Penten-3-one, 1-chloro-
| Molecular Formula | C5H7ClO |
|---|---|
| Molecular Weight | 118.02 g/mol |
| LogP | 1.718 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 118.01854 |
| Heavy Atoms | 7 |
| Complexity | 86.08094 |
Chemical Identifiers
| CAS Number | 105-32-8 |
|---|---|
| SMILES | CCC(=O)/C=C/Cl |
Product Overview
(1E)-1-Chloro-1-penten-3-one (CAS 105-32-8), with molecular formula C5H7ClO and molecular weight 118.02 g/mol. IUPAC: (E)-1-chloropent-1-en-3-one.
Chemical Property Profile of (1E)-1-Chloro-1-penten-3-one
Property Insights of (1E)-1-Chloro-1-penten-3-one
The XLogP value of 1.718 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1E)-1-Chloro-1-penten-3-one. With a topological polar surface area (TPSA) of 17.07 Ų, (1E)-1-Chloro-1-penten-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1E)-1-Chloro-1-penten-3-one has 0 hydrogen bond donor(s) and 1 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 (1E)-1-Chloro-1-penten-3-one?
The CAS number of (1E)-1-Chloro-1-penten-3-one is 105-32-8.
What is the molecular formula of (1E)-1-Chloro-1-penten-3-one?
The molecular formula of (1E)-1-Chloro-1-penten-3-one is C5H7ClO.
What is the molecular weight of (1E)-1-Chloro-1-penten-3-one?
The molecular weight of (1E)-1-Chloro-1-penten-3-one is 118.02 g/mol.
Where can I buy (1E)-1-Chloro-1-penten-3-one?
You can request a quote for (1E)-1-Chloro-1-penten-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1E)-1-Chloro-1-penten-3-one?
Yes, KEHONG BIO provides custom synthesis services for (1E)-1-Chloro-1-penten-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.