1-Chloro-3-pentanone
TL;DR: 1-Chloro-3-pentanone (CAS 32830-97-0) is a chemical compound with molecular formula C5H9ClO and molecular weight 120.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloropentan-3-one
Also Known As: 1-Chloro-3-pentanone, 1-Chloropentan-3-one, 3-Pentanone, 1-chloro-, 1-Chloroethyl ethyl ketone, ss-Chlordiaethylketon
| Molecular Formula | C5H9ClO |
|---|---|
| Molecular Weight | 120.03 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 120.034195 |
| Heavy Atoms | 7 |
| Complexity | 61.0 |
Chemical Identifiers
| CAS Number | 32830-97-0 |
|---|---|
| SMILES | CCC(=O)CCCl |
| InChIKey | APNSUHRNUVUCIP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-3-pentanone (CAS 32830-97-0), with molecular formula C5H9ClO and molecular weight 120.03 g/mol. IUPAC: 1-chloropentan-3-one.
Chemical Property Profile of 1-Chloro-3-pentanone
Property Insights of 1-Chloro-3-pentanone
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-3-pentanone. With a topological polar surface area (TPSA) of 17.1 Ų, 1-Chloro-3-pentanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-3-pentanone 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-Chloro-3-pentanone?
The CAS number of 1-Chloro-3-pentanone is 32830-97-0.
What is the molecular formula of 1-Chloro-3-pentanone?
The molecular formula of 1-Chloro-3-pentanone is C5H9ClO.
What is the molecular weight of 1-Chloro-3-pentanone?
The molecular weight of 1-Chloro-3-pentanone is 120.03 g/mol.
Where can I buy 1-Chloro-3-pentanone?
You can request a quote for 1-Chloro-3-pentanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-3-pentanone?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-3-pentanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.