1,4-Hexadien-3-one, 1-(1,3-benzodioxol-5-yl)-5-methyl-
TL;DR: 1,4-Hexadien-3-one, 1-(1,3-benzodioxol-5-yl)-5-methyl- (CAS 56751-49-6) is a chemical compound with molecular formula C14H14O3 and molecular weight 230.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1E)-1-(1,3-benzodioxol-5-yl)-5-methylhexa-1,4-dien-3-one
Also Known As: 1-(1,3-Benzodioxol-5-yl)-5-methyl-1,4-hexadien-3-one, 1,4-Hexadien-3-one, 1-(1,3-benzodioxol-5-yl)-5-methyl-, (1E)-1-(1,3-benzodioxol-5-yl)-5-methylhexa-1,4-dien-3-one, RefChem:1053334
| Molecular Formula | C14H14O3 |
|---|---|
| Molecular Weight | 230.09 g/mol |
| LogP | 2.9638 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.0943 |
| Heavy Atoms | 17 |
| Complexity | 494.18884 |
Chemical Identifiers
| CAS Number | 56751-49-6 |
|---|---|
| SMILES | CC(=CC(=O)/C=C/C1=CC2=C(C=C1)OCO2)C |
Product Overview
1,4-Hexadien-3-one, 1-(1,3-benzodioxol-5-yl)-5-methyl- (CAS 56751-49-6), with molecular formula C14H14O3 and molecular weight 230.09 g/mol. IUPAC: (1E)-1-(1,3-benzodioxol-5-yl)-5-methylhexa-1,4-dien-3-one.
Chemical Property Profile of 1,4-Hexadien-3-one, 1-(1,3-benzodioxol-5-yl)-5-methyl-
Property Insights of 1,4-Hexadien-3-one, 1-(1,3-benzodioxol-5-yl)-5-methyl-
The XLogP value of 2.9638 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Hexadien-3-one, 1-(1,3-benzodioxol-5-yl)-5-methyl-. With a topological polar surface area (TPSA) of 35.53 Ų, 1,4-Hexadien-3-one, 1-(1,3-benzodioxol-5-yl)-5-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Hexadien-3-one, 1-(1,3-benzodioxol-5-yl)-5-methyl- 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 1,4-Hexadien-3-one, 1-(1,3-benzodioxol-5-yl)-5-methyl-?
The CAS number of 1,4-Hexadien-3-one, 1-(1,3-benzodioxol-5-yl)-5-methyl- is 56751-49-6.
What is the molecular formula of 1,4-Hexadien-3-one, 1-(1,3-benzodioxol-5-yl)-5-methyl-?
The molecular formula of 1,4-Hexadien-3-one, 1-(1,3-benzodioxol-5-yl)-5-methyl- is C14H14O3.
What is the molecular weight of 1,4-Hexadien-3-one, 1-(1,3-benzodioxol-5-yl)-5-methyl-?
The molecular weight of 1,4-Hexadien-3-one, 1-(1,3-benzodioxol-5-yl)-5-methyl- is 230.09 g/mol.
Where can I buy 1,4-Hexadien-3-one, 1-(1,3-benzodioxol-5-yl)-5-methyl-?
You can request a quote for 1,4-Hexadien-3-one, 1-(1,3-benzodioxol-5-yl)-5-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Hexadien-3-one, 1-(1,3-benzodioxol-5-yl)-5-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Hexadien-3-one, 1-(1,3-benzodioxol-5-yl)-5-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.