5-Chloro-1-phenyl-1-pentanone
TL;DR: 5-Chloro-1-phenyl-1-pentanone (CAS 942-93-8) is a chemical compound with molecular formula C11H13ClO and molecular weight 196.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-1-phenylpentan-1-one
Also Known As: 5-Chloro-1-phenylpentan-1-one, 5-CHLORO-1-OXO-1-PHENYLPENTANE, 5-chlorovalerophenone, delta-Chlorovalerophenone, 4-Chlorobutylphenyl ketone
| Molecular Formula | C11H13ClO |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 196.06549 |
| Heavy Atoms | 13 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 942-93-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CCCCCl |
| InChIKey | HTQNQSPMTCJERU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Chloro-1-phenyl-1-pentanone (CAS 942-93-8), with molecular formula C11H13ClO and molecular weight 196.07 g/mol. IUPAC: 5-chloro-1-phenylpentan-1-one.
Chemical Property Profile of 5-Chloro-1-phenyl-1-pentanone
Property Insights of 5-Chloro-1-phenyl-1-pentanone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-1-phenyl-1-pentanone. With a topological polar surface area (TPSA) of 17.1 Ų, 5-Chloro-1-phenyl-1-pentanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-1-phenyl-1-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 5-Chloro-1-phenyl-1-pentanone?
The CAS number of 5-Chloro-1-phenyl-1-pentanone is 942-93-8.
What is the molecular formula of 5-Chloro-1-phenyl-1-pentanone?
The molecular formula of 5-Chloro-1-phenyl-1-pentanone is C11H13ClO.
What is the molecular weight of 5-Chloro-1-phenyl-1-pentanone?
The molecular weight of 5-Chloro-1-phenyl-1-pentanone is 196.07 g/mol.
Where can I buy 5-Chloro-1-phenyl-1-pentanone?
You can request a quote for 5-Chloro-1-phenyl-1-pentanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-1-phenyl-1-pentanone?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-1-phenyl-1-pentanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.