苯甲酰丙酮
TL;DR: 苯甲酰丙酮 (CAS 93-91-4) is a chemical compound with molecular formula C10H10O2 and molecular weight 162.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯甲酰丙酮
1-phenylbutane-1,3-dione
Also Known As: Benzoylacetone, 1-Phenylbutane-1,3-dione, 1-Benzoylacetone, 1-PHENYL-1,3-BUTANEDIONE, Acetoacetophenone
| Molecular Formula | C10H10O2 |
|---|---|
| Molecular Weight | 162.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 162.06808 |
| Heavy Atoms | 12 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 93-91-4 |
|---|---|
| SMILES | CC(=O)CC(=O)C1=CC=CC=C1 |
| InChIKey | CVBUKMMMRLOKQR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯甲酰丙酮 (CAS 93-91-4), with molecular formula C10H10O2 and molecular weight 162.07 g/mol. IUPAC: 1-phenylbutane-1,3-dione.
Chemical Property Profile of 苯甲酰丙酮
Property Insights of 苯甲酰丙酮
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯甲酰丙酮. With a topological polar surface area (TPSA) of 34.1 Ų, 苯甲酰丙酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯甲酰丙酮 has 0 hydrogen bond donor(s) and 2 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 苯甲酰丙酮?
The CAS number of 苯甲酰丙酮 is 93-91-4.
What is the molecular formula of 苯甲酰丙酮?
The molecular formula of 苯甲酰丙酮 is C10H10O2.
What is the molecular weight of 苯甲酰丙酮?
The molecular weight of 苯甲酰丙酮 is 162.07 g/mol.
Where can I buy 苯甲酰丙酮?
You can request a quote for 苯甲酰丙酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯甲酰丙酮?
Yes, KEHONG BIO provides custom synthesis services for 苯甲酰丙酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.