2-氯乙烯基丙基酮
TL;DR: 2-氯乙烯基丙基酮 (CAS 15787-72-1) is a chemical compound with molecular formula C6H9ClO and molecular weight 132.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氯乙烯基丙基酮
1-chlorohex-1-en-3-one
Also Known As: 2-chlorovinyl propyl ketone, 1-chlorohex-1-en-3-one, 1-HEXEN-3-ONE, 1-CHLORO-
| Molecular Formula | C6H9ClO |
|---|---|
| Molecular Weight | 132.03 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 132.0342 |
| Heavy Atoms | 8 |
| Complexity | 96.0 |
Chemical Identifiers
| CAS Number | 15787-72-1 |
|---|---|
| SMILES | CCCC(=O)C=CCl |
| InChIKey | VDVLYXSQGCISGT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氯乙烯基丙基酮 (CAS 15787-72-1), with molecular formula C6H9ClO and molecular weight 132.03 g/mol. IUPAC: 1-chlorohex-1-en-3-one.
Chemical Property Profile of 2-氯乙烯基丙基酮
Property Insights of 2-氯乙烯基丙基酮
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氯乙烯基丙基酮. With a topological polar surface area (TPSA) of 17.1 Ų, 2-氯乙烯基丙基酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-氯乙烯基丙基酮 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 2-氯乙烯基丙基酮?
The CAS number of 2-氯乙烯基丙基酮 is 15787-72-1.
What is the molecular formula of 2-氯乙烯基丙基酮?
The molecular formula of 2-氯乙烯基丙基酮 is C6H9ClO.
What is the molecular weight of 2-氯乙烯基丙基酮?
The molecular weight of 2-氯乙烯基丙基酮 is 132.03 g/mol.
Where can I buy 2-氯乙烯基丙基酮?
You can request a quote for 2-氯乙烯基丙基酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氯乙烯基丙基酮?
Yes, KEHONG BIO provides custom synthesis services for 2-氯乙烯基丙基酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.