二亚苄基丙酮
TL;DR: 二亚苄基丙酮 (CAS 36272-57-8) is a chemical compound with molecular formula C17H14O and molecular weight 234.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二亚苄基丙酮
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
Also Known As: Dibenzylideneacetone, Dibenzalacetone, Distyryl ketone, trans,trans-Dibenzylideneacetone, 1,5-Diphenylpenta-1,4-dien-3-one
| Molecular Formula | C17H14O |
|---|---|
| Molecular Weight | 234.10 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.10446 |
| Heavy Atoms | 18 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 36272-57-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2 |
| InChIKey | WMKGGPCROCCUDY-PHEQNACWSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二亚苄基丙酮 (CAS 36272-57-8), with molecular formula C17H14O and molecular weight 234.10 g/mol. IUPAC: (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one.
Chemical Property Profile of 二亚苄基丙酮
Property Insights of 二亚苄基丙酮
The XLogP value of 4.1 indicates that 二亚苄基丙酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 二亚苄基丙酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二亚苄基丙酮 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 二亚苄基丙酮?
The CAS number of 二亚苄基丙酮 is 36272-57-8.
What is the molecular formula of 二亚苄基丙酮?
The molecular formula of 二亚苄基丙酮 is C17H14O.
What is the molecular weight of 二亚苄基丙酮?
The molecular weight of 二亚苄基丙酮 is 234.10 g/mol.
Where can I buy 二亚苄基丙酮?
You can request a quote for 二亚苄基丙酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二亚苄基丙酮?
Yes, KEHONG BIO provides custom synthesis services for 二亚苄基丙酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.