丁酰苯
TL;DR: 丁酰苯 (CAS 495-40-9) is a chemical compound with molecular formula C10H12O and molecular weight 148.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁酰苯
1-phenylbutan-1-one
Also Known As: BUTYROPHENONE, 1-phenylbutan-1-one, n-Butyrophenone, Phenyl propyl ketone, 1-Butanone, 1-phenyl-
| Molecular Formula | C10H12O |
|---|---|
| Molecular Weight | 148.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 148.08882 |
| Heavy Atoms | 11 |
| Complexity | 123.0 |
| Vapor Pressure | 0.08 [mmHg] |
Chemical Identifiers
| CAS Number | 495-40-9 |
|---|---|
| SMILES | CCCC(=O)C1=CC=CC=C1 |
| InChIKey | FFSAXUULYPJSKH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁酰苯 (CAS 495-40-9), with molecular formula C10H12O and molecular weight 148.09 g/mol. IUPAC: 1-phenylbutan-1-one.
Chemical Property Profile of 丁酰苯
Property Insights of 丁酰苯
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丁酰苯. With a topological polar surface area (TPSA) of 17.1 Ų, 丁酰苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁酰苯 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 丁酰苯?
The CAS number of 丁酰苯 is 495-40-9.
What is the molecular formula of 丁酰苯?
The molecular formula of 丁酰苯 is C10H12O.
What is the molecular weight of 丁酰苯?
The molecular weight of 丁酰苯 is 148.09 g/mol.
Where can I buy 丁酰苯?
You can request a quote for 丁酰苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁酰苯?
Yes, KEHONG BIO provides custom synthesis services for 丁酰苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.