3-Buten-2-one, 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-
TL;DR: 3-Buten-2-one, 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)- (CAS 14398-35-7) is a chemical compound with molecular formula C13H18O and molecular weight 190.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-3-en-2-one
Also Known As: Dehydro-beta-ionone, 3,4-dehydro-beta-ionone, beta-Ionone, dehydro-, Dehydro-.beta.-ionone, 3,4-Dehydro-.beta.-ionone
| Molecular Formula | C13H18O |
|---|---|
| Molecular Weight | 190.14 g/mol |
| LogP | 3.4342 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.13577 |
| Heavy Atoms | 14 |
| Complexity | 327.1447 |
Chemical Identifiers
| CAS Number | 14398-35-7 |
|---|---|
| SMILES | CC1=C(C(CC=C1)(C)C)/C=C/C(=O)C |
Product Overview
3-Buten-2-one, 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)- (CAS 14398-35-7), with molecular formula C13H18O and molecular weight 190.14 g/mol. IUPAC: (E)-4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-3-en-2-one.
Chemical Property Profile of 3-Buten-2-one, 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-
Property Insights of 3-Buten-2-one, 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-
The XLogP value of 3.4342 indicates that 3-Buten-2-one, 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 3-Buten-2-one, 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Buten-2-one, 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)- 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 3-Buten-2-one, 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-?
The CAS number of 3-Buten-2-one, 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)- is 14398-35-7.
What is the molecular formula of 3-Buten-2-one, 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-?
The molecular formula of 3-Buten-2-one, 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)- is C13H18O.
What is the molecular weight of 3-Buten-2-one, 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-?
The molecular weight of 3-Buten-2-one, 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)- is 190.14 g/mol.
Where can I buy 3-Buten-2-one, 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-?
You can request a quote for 3-Buten-2-one, 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Buten-2-one, 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Buten-2-one, 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.