3-甲基-6-苯基-3,5-己二烯-2-酮
TL;DR: 3-甲基-6-苯基-3,5-己二烯-2-酮 (CAS 19520-38-8) is a chemical compound with molecular formula C13H14O and molecular weight 186.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-甲基-6-苯基-3,5-己二烯-2-酮
3-methyl-6-phenylhexa-3,5-dien-2-one
Also Known As: 3-Methyl-6-phenylhexa-3,5-dien-2-one, 3,5-Hexadien-2-one, 3-methyl-6-phenyl-, 3-methyl-6-phenyl-3,5-hexadien-2-one, EINECS 243-123-7, RefChem:487100
| Molecular Formula | C13H14O |
|---|---|
| Molecular Weight | 186.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 186.10446 |
| Heavy Atoms | 14 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 19520-38-8 |
|---|---|
| SMILES | CC(=CC=CC1=CC=CC=C1)C(=O)C |
| InChIKey | CGIJXXFGNLODHX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-甲基-6-苯基-3,5-己二烯-2-酮 (CAS 19520-38-8), with molecular formula C13H14O and molecular weight 186.10 g/mol. IUPAC: 3-methyl-6-phenylhexa-3,5-dien-2-one.
Chemical Property Profile of 3-甲基-6-苯基-3,5-己二烯-2-酮
Property Insights of 3-甲基-6-苯基-3,5-己二烯-2-酮
The XLogP value of 3.0 indicates that 3-甲基-6-苯基-3,5-己二烯-2-酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3-甲基-6-苯基-3,5-己二烯-2-酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-甲基-6-苯基-3,5-己二烯-2-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 3-甲基-6-苯基-3,5-己二烯-2-酮?
The CAS number of 3-甲基-6-苯基-3,5-己二烯-2-酮 is 19520-38-8.
What is the molecular formula of 3-甲基-6-苯基-3,5-己二烯-2-酮?
The molecular formula of 3-甲基-6-苯基-3,5-己二烯-2-酮 is C13H14O.
What is the molecular weight of 3-甲基-6-苯基-3,5-己二烯-2-酮?
The molecular weight of 3-甲基-6-苯基-3,5-己二烯-2-酮 is 186.10 g/mol.
Where can I buy 3-甲基-6-苯基-3,5-己二烯-2-酮?
You can request a quote for 3-甲基-6-苯基-3,5-己二烯-2-酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-甲基-6-苯基-3,5-己二烯-2-酮?
Yes, KEHONG BIO provides custom synthesis services for 3-甲基-6-苯基-3,5-己二烯-2-酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.