4-氧代-2-苯基-4-苯基丁腈
TL;DR: 4-氧代-2-苯基-4-苯基丁腈 (CAS 6268-00-4) is a chemical compound with molecular formula C16H13NO and molecular weight 235.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氧代-2-苯基-4-苯基丁腈
4-oxo-2,4-diphenylbutanenitrile
Also Known As: 4-Oxo-2,4-diphenylbutanenitrile, gamma-Oxo-alpha-phenylbenzenebutyronitrile, 3-Benzoyl-2-Phenylpropionitrile, Hydratroponitrile, beta-benzoyl-, TimTec1_003687
| Molecular Formula | C16H13NO |
|---|---|
| Molecular Weight | 235.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.09972 |
| Heavy Atoms | 18 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 6268-00-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)C#N |
| InChIKey | JRWUFQJVJGKCCT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氧代-2-苯基-4-苯基丁腈 (CAS 6268-00-4), with molecular formula C16H13NO and molecular weight 235.10 g/mol. IUPAC: 4-oxo-2,4-diphenylbutanenitrile.
Chemical Property Profile of 4-氧代-2-苯基-4-苯基丁腈
Property Insights of 4-氧代-2-苯基-4-苯基丁腈
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氧代-2-苯基-4-苯基丁腈. With a topological polar surface area (TPSA) of 40.9 Ų, 4-氧代-2-苯基-4-苯基丁腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, γ-氧代-α-苯基苯丁腈 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 γ-氧代-α-苯基苯丁腈?
The CAS number of γ-氧代-α-苯基苯丁腈 is 6268-00-4.
What is the molecular formula of γ-氧代-α-苯基苯丁腈?
The molecular formula of γ-氧代-α-苯基苯丁腈 is C16H13NO.
What is the molecular weight of γ-氧代-α-苯基苯丁腈?
The molecular weight of γ-氧代-α-苯基苯丁腈 is 235.10 g/mol.
Where can I buy γ-氧代-α-苯基苯丁腈?
You can request a quote for γ-氧代-α-苯基苯丁腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for γ-氧代-α-苯基苯丁腈?
Yes, KEHONG BIO provides custom synthesis services for γ-氧代-α-苯基苯丁腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.