1-Penten-3-one, 1-(6-chloro-1,3-benzodioxol-5-yl)-4,4-dimethyl-
TL;DR: 1-Penten-3-one, 1-(6-chloro-1,3-benzodioxol-5-yl)-4,4-dimethyl- (CAS 58344-73-3) is a chemical compound with molecular formula C14H15ClO3 and molecular weight 266.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(6-chloro-1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-one
Also Known As: Prucalopride Impurity 30, 1-(6-Chloro-1,3-benzodioxol-5-yl)-4,4-dimethyl-1-penten-3-one, 1-Penten-3-one, 1-(6-chloro-1,3-benzodioxol-5-yl)-4,4-dimethyl-, (E)-1-(6-chloro-1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-one, RefChem:1056231
| Molecular Formula | C14H15ClO3 |
|---|---|
| Molecular Weight | 266.07 g/mol |
| LogP | 3.6971 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.07098 |
| Heavy Atoms | 18 |
| Complexity | 512.5058 |
Chemical Identifiers
| CAS Number | 58344-73-3 |
|---|---|
| SMILES | CC(C)(C)C(=O)/C=C/C1=CC2=C(C=C1Cl)OCO2 |
Product Overview
1-Penten-3-one, 1-(6-chloro-1,3-benzodioxol-5-yl)-4,4-dimethyl- (CAS 58344-73-3), with molecular formula C14H15ClO3 and molecular weight 266.07 g/mol. IUPAC: (E)-1-(6-chloro-1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-one.
Chemical Property Profile of 1-Penten-3-one, 1-(6-chloro-1,3-benzodioxol-5-yl)-4,4-dimethyl-
Property Insights of 1-Penten-3-one, 1-(6-chloro-1,3-benzodioxol-5-yl)-4,4-dimethyl-
The XLogP value of 3.6971 indicates that 1-Penten-3-one, 1-(6-chloro-1,3-benzodioxol-5-yl)-4,4-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, 1-Penten-3-one, 1-(6-chloro-1,3-benzodioxol-5-yl)-4,4-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Penten-3-one, 1-(6-chloro-1,3-benzodioxol-5-yl)-4,4-dimethyl- has 0 hydrogen bond donor(s) and 3 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-(6-chloro-1,3-benzodioxol-5-yl)-4,4-dimethyl-?
The CAS number of 1-Penten-3-one, 1-(6-chloro-1,3-benzodioxol-5-yl)-4,4-dimethyl- is 58344-73-3.
What is the molecular formula of 1-Penten-3-one, 1-(6-chloro-1,3-benzodioxol-5-yl)-4,4-dimethyl-?
The molecular formula of 1-Penten-3-one, 1-(6-chloro-1,3-benzodioxol-5-yl)-4,4-dimethyl- is C14H15ClO3.
What is the molecular weight of 1-Penten-3-one, 1-(6-chloro-1,3-benzodioxol-5-yl)-4,4-dimethyl-?
The molecular weight of 1-Penten-3-one, 1-(6-chloro-1,3-benzodioxol-5-yl)-4,4-dimethyl- is 266.07 g/mol.
Where can I buy 1-Penten-3-one, 1-(6-chloro-1,3-benzodioxol-5-yl)-4,4-dimethyl-?
You can request a quote for 1-Penten-3-one, 1-(6-chloro-1,3-benzodioxol-5-yl)-4,4-dimethyl- 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-(6-chloro-1,3-benzodioxol-5-yl)-4,4-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1-Penten-3-one, 1-(6-chloro-1,3-benzodioxol-5-yl)-4,4-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.