亚苄基丙酮
TL;DR: 亚苄基丙酮 (CAS 937-53-1) is a chemical compound with molecular formula C10H10O and molecular weight 146.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
亚苄基丙酮
(E)-4-phenylbut-3-en-2-one
Also Known As: Benzylideneacetone, Benzalacetone, Acetocinnamone, Methyl styryl ketone, 4-Phenylbut-3-en-2-one
| Molecular Formula | C10H10O |
|---|---|
| Molecular Weight | 146.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 146.07317 |
| Heavy Atoms | 11 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 937-53-1 |
|---|---|
| SMILES | CC(=O)/C=C/C1=CC=CC=C1 |
| InChIKey | BWHOZHOGCMHOBV-BQYQJAHWSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
亚苄基丙酮 (CAS 937-53-1), with molecular formula C10H10O and molecular weight 146.07 g/mol. IUPAC: (E)-4-phenylbut-3-en-2-one.
Chemical Property Profile of 亚苄基丙酮
Property Insights of 亚苄基丙酮
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 亚苄基丙酮. With a topological polar surface area (TPSA) of 17.1 Ų, 亚苄基丙酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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 亚苄基丙酮?
The CAS number of 亚苄基丙酮 is 937-53-1.
What is the molecular formula of 亚苄基丙酮?
The molecular formula of 亚苄基丙酮 is C10H10O.
What is the molecular weight of 亚苄基丙酮?
The molecular weight of 亚苄基丙酮 is 146.07 g/mol.
Where can I buy 亚苄基丙酮?
You can request a quote for 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 亚苄基丙酮?
Yes, KEHONG BIO provides custom synthesis services for 亚苄基丙酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.