1-Penten-3-one, 1-chloro-4,4-dimethyl-, (E)-
TL;DR: 1-Penten-3-one, 1-chloro-4,4-dimethyl-, (E)- (CAS 71388-72-2) is a chemical compound with molecular formula C7H11ClO and molecular weight 146.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-chloro-4,4-dimethylpent-1-en-3-one
Also Known As: E-2-chlorovinyl t-butyl ketone, (E)-1-chloro-4,4-dimethylpent-1-en-3-one, (1E)-1-Chloro-4,4-dimethyl-1-penten-3-one, (1E)-1-Chloro-4,4-dimethyl-1-penten-3-one #, 1-Penten-3-one, 1-chloro-4,4-dimethyl-, (E)-
| Molecular Formula | C7H11ClO |
|---|---|
| Molecular Weight | 146.05 g/mol |
| LogP | 2.3541 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 146.04984 |
| Heavy Atoms | 9 |
| Complexity | 130.3418 |
Chemical Identifiers
| CAS Number | 71388-72-2 |
|---|---|
| SMILES | CC(C)(C)C(=O)/C=C/Cl |
Product Overview
1-Penten-3-one, 1-chloro-4,4-dimethyl-, (E)- (CAS 71388-72-2), with molecular formula C7H11ClO and molecular weight 146.05 g/mol. IUPAC: (E)-1-chloro-4,4-dimethylpent-1-en-3-one.
Chemical Property Profile of 1-Penten-3-one, 1-chloro-4,4-dimethyl-, (E)-
Property Insights of 1-Penten-3-one, 1-chloro-4,4-dimethyl-, (E)-
The XLogP value of 2.3541 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Penten-3-one, 1-chloro-4,4-dimethyl-, (E)-. With a topological polar surface area (TPSA) of 17.07 Ų, 1-Penten-3-one, 1-chloro-4,4-dimethyl-, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Penten-3-one, 1-chloro-4,4-dimethyl-, (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-Penten-3-one, 1-chloro-4,4-dimethyl-, (E)-?
The CAS number of 1-Penten-3-one, 1-chloro-4,4-dimethyl-, (E)- is 71388-72-2.
What is the molecular formula of 1-Penten-3-one, 1-chloro-4,4-dimethyl-, (E)-?
The molecular formula of 1-Penten-3-one, 1-chloro-4,4-dimethyl-, (E)- is C7H11ClO.
What is the molecular weight of 1-Penten-3-one, 1-chloro-4,4-dimethyl-, (E)-?
The molecular weight of 1-Penten-3-one, 1-chloro-4,4-dimethyl-, (E)- is 146.05 g/mol.
Where can I buy 1-Penten-3-one, 1-chloro-4,4-dimethyl-, (E)-?
You can request a quote for 1-Penten-3-one, 1-chloro-4,4-dimethyl-, (E)- 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, 1-chloro-4,4-dimethyl-, (E)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Penten-3-one, 1-chloro-4,4-dimethyl-, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.