1-Hexen-3-one, 1-chloro-, (E)-
TL;DR: 1-Hexen-3-one, 1-chloro-, (E)- (CAS 58953-13-2) 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.
(E)-1-chlorohex-1-en-3-one
Also Known As: trans-1-Chloro-1-hexen-3-one, n-propyl b-chlorovinyl ketone, (E)-propyl 2-chlorovinyl ketone, (E)-1-chlorohex-1-en-3-one, (E)-1-Chloro-1-hexen-3-one
| Molecular Formula | C6H9ClO |
|---|---|
| Molecular Weight | 132.03 g/mol |
| LogP | 2.1081 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 132.0342 |
| Heavy Atoms | 8 |
| Complexity | 96.70166 |
Chemical Identifiers
| CAS Number | 58953-13-2 |
|---|---|
| SMILES | CCCC(=O)/C=C/Cl |
Product Overview
1-Hexen-3-one, 1-chloro-, (E)- (CAS 58953-13-2), with molecular formula C6H9ClO and molecular weight 132.03 g/mol. IUPAC: (E)-1-chlorohex-1-en-3-one.
Chemical Property Profile of 1-Hexen-3-one, 1-chloro-, (E)-
Property Insights of 1-Hexen-3-one, 1-chloro-, (E)-
The XLogP value of 2.1081 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Hexen-3-one, 1-chloro-, (E)-. With a topological polar surface area (TPSA) of 17.07 Ų, 1-Hexen-3-one, 1-chloro-, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Hexen-3-one, 1-chloro-, (E)- 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-Hexen-3-one, 1-chloro-, (E)-?
The CAS number of 1-Hexen-3-one, 1-chloro-, (E)- is 58953-13-2.
What is the molecular formula of 1-Hexen-3-one, 1-chloro-, (E)-?
The molecular formula of 1-Hexen-3-one, 1-chloro-, (E)- is C6H9ClO.
What is the molecular weight of 1-Hexen-3-one, 1-chloro-, (E)-?
The molecular weight of 1-Hexen-3-one, 1-chloro-, (E)- is 132.03 g/mol.
Where can I buy 1-Hexen-3-one, 1-chloro-, (E)-?
You can request a quote for 1-Hexen-3-one, 1-chloro-, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hexen-3-one, 1-chloro-, (E)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Hexen-3-one, 1-chloro-, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.