1,4-二甲基-3-环己烯基甲基酮
TL;DR: 1,4-二甲基-3-环己烯基甲基酮 (CAS 43219-68-7) is a chemical compound with molecular formula C10H16O and molecular weight 152.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-二甲基-3-环己烯基甲基酮
1-(1,4-dimethylcyclohex-3-en-1-yl)ethanone
Also Known As: 4-Acetyl-1,4-dimethyl-1-cyclohexene, 1,4-Dimethyl-4-acetylcyclohexene, FEMA No. 3449, 1-(1,4-Dimethylcyclohex-3-en-1-yl)ethan-1-one, 1,4-Dimethyl-3-cyclohexenyl methyl ketone
| Molecular Formula | C10H16O |
|---|---|
| Molecular Weight | 152.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.12012 |
| Heavy Atoms | 11 |
| Complexity | 203.0 |
| Boiling Point | 208.00 to 211.00 °C. @ 760.00 mm Hg |
| Density | 0.930-0.936 |
| Refractive Index | 1.468-1.473 |
Chemical Identifiers
| CAS Number | 43219-68-7 |
|---|---|
| SMILES | CC1=CCC(CC1)(C)C(=O)C |
| InChIKey | BIUSXTISNNLMOR-UHFFFAOYSA-N |
Product Overview
1,4-二甲基-3-环己烯基甲基酮 (CAS 43219-68-7), with molecular formula C10H16O and molecular weight 152.12 g/mol. IUPAC: 1-(1,4-dimethylcyclohex-3-en-1-yl)ethanone.
Chemical Property Profile of 1,4-二甲基-3-环己烯基甲基酮
Property Insights of 1,4-二甲基-3-环己烯基甲基酮
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-二甲基-3-环己烯基甲基酮. With a topological polar surface area (TPSA) of 17.1 Ų, 1,4-二甲基-3-环己烯基甲基酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-二甲基-3-环己烯基甲基酮 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 1,4-二甲基-3-环己烯基甲基酮?
The CAS number of 1,4-二甲基-3-环己烯基甲基酮 is 43219-68-7.
What is the molecular formula of 1,4-二甲基-3-环己烯基甲基酮?
The molecular formula of 1,4-二甲基-3-环己烯基甲基酮 is C10H16O.
What is the molecular weight of 1,4-二甲基-3-环己烯基甲基酮?
The molecular weight of 1,4-二甲基-3-环己烯基甲基酮 is 152.12 g/mol.
Where can I buy 1,4-二甲基-3-环己烯基甲基酮?
You can request a quote for 1,4-二甲基-3-环己烯基甲基酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-二甲基-3-环己烯基甲基酮?
Yes, KEHONG BIO provides custom synthesis services for 1,4-二甲基-3-环己烯基甲基酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.