1-Penten-3-one, 5-chloro-
TL;DR: 1-Penten-3-one, 5-chloro- (CAS 20757-87-3) 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.
5-chloropent-1-en-3-one
Also Known As: 5-Chloropent-1-en-3-one, 1-Penten-3-one, 5-chloro-, chloromethylbutenone, beta-Chloroethyl vinyl ketone, 5-chloro-pent-1-en-3-one
| Molecular Formula | C5H7ClO |
|---|---|
| Molecular Weight | 118.02 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 118.01854 |
| Heavy Atoms | 7 |
| Complexity | 78.0 |
Chemical Identifiers
| CAS Number | 20757-87-3 |
|---|---|
| SMILES | C=CC(=O)CCCl |
| InChIKey | XLFDSXRUZDTNER-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Penten-3-one, 5-chloro- (CAS 20757-87-3), with molecular formula C5H7ClO and molecular weight 118.02 g/mol. IUPAC: 5-chloropent-1-en-3-one.
Chemical Property Profile of 1-Penten-3-one, 5-chloro-
Property Insights of 1-Penten-3-one, 5-chloro-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Penten-3-one, 5-chloro-. With a topological polar surface area (TPSA) of 17.1 Ų, 1-Penten-3-one, 5-chloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Penten-3-one, 5-chloro- 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 1-Penten-3-one, 5-chloro-?
The CAS number of 1-Penten-3-one, 5-chloro- is 20757-87-3.
What is the molecular formula of 1-Penten-3-one, 5-chloro-?
The molecular formula of 1-Penten-3-one, 5-chloro- is C5H7ClO.
What is the molecular weight of 1-Penten-3-one, 5-chloro-?
The molecular weight of 1-Penten-3-one, 5-chloro- is 118.02 g/mol.
Where can I buy 1-Penten-3-one, 5-chloro-?
You can request a quote for 1-Penten-3-one, 5-chloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Penten-3-one, 5-chloro-?
Yes, KEHONG BIO provides custom synthesis services for 1-Penten-3-one, 5-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.