1-苯基-1,2-丙二酮-2-(O-苯甲酰肟)
TL;DR: 1-苯基-1,2-丙二酮-2-(O-苯甲酰肟) (CAS 17292-57-8) is a chemical compound with molecular formula C16H13NO3 and molecular weight 267.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-苯基-1,2-丙二酮-2-(O-苯甲酰肟)
[(1-oxo-1-phenylpropan-2-ylidene)amino] benzoate
Also Known As: 1,2-Propanedione, 1-phenyl-, 2-(O-benzoyloxime), [(1-oxo-1-phenylpropan-2-ylidene)amino] benzoate, Benzene,1-ethenyl-2-(1-phenylethenyl), O-Benzoyl-N-(1-methyl-2-oxo-2-phenylethylidene)hydroxylamine, 2-[(benzoyloxy)imino]-1-phenylpropan-1-one
| Molecular Formula | C16H13NO3 |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 55.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 267.08954 |
| Heavy Atoms | 20 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 17292-57-8 |
|---|---|
| SMILES | CC(=NOC(=O)C1=CC=CC=C1)C(=O)C2=CC=CC=C2 |
| InChIKey | ZNZDJSGUWLGTLA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-苯基-1,2-丙二酮-2-(O-苯甲酰肟) (CAS 17292-57-8), with molecular formula C16H13NO3 and molecular weight 267.09 g/mol. IUPAC: [(1-oxo-1-phenylpropan-2-ylidene)amino] benzoate.
Chemical Property Profile of 1-苯基-1,2-丙二酮-2-(O-苯甲酰肟)
Property Insights of 1-苯基-1,2-丙二酮-2-(O-苯甲酰肟)
The XLogP value of 3.3 indicates that 1-苯基-1,2-丙二酮-2-(O-苯甲酰肟) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.7 Ų, 1-苯基-1,2-丙二酮-2-(O-苯甲酰肟) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-苯基-1,2-丙二酮-2-(O-苯甲酰肟) has 0 hydrogen bond donor(s) and 4 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 1-苯基-1,2-丙二酮-2-(O-苯甲酰肟)?
The CAS number of 1-苯基-1,2-丙二酮-2-(O-苯甲酰肟) is 17292-57-8.
What is the molecular formula of 1-苯基-1,2-丙二酮-2-(O-苯甲酰肟)?
The molecular formula of 1-苯基-1,2-丙二酮-2-(O-苯甲酰肟) is C16H13NO3.
What is the molecular weight of 1-苯基-1,2-丙二酮-2-(O-苯甲酰肟)?
The molecular weight of 1-苯基-1,2-丙二酮-2-(O-苯甲酰肟) is 267.09 g/mol.
Where can I buy 1-苯基-1,2-丙二酮-2-(O-苯甲酰肟)?
You can request a quote for 1-苯基-1,2-丙二酮-2-(O-苯甲酰肟) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-苯基-1,2-丙二酮-2-(O-苯甲酰肟)?
Yes, KEHONG BIO provides custom synthesis services for 1-苯基-1,2-丙二酮-2-(O-苯甲酰肟) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.