3-Oxo-N,N-diphenylbutanamide
TL;DR: 3-Oxo-N,N-diphenylbutanamide (CAS 2540-31-0) is a chemical compound with molecular formula C16H15NO2 and molecular weight 253.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxo-N,N-diphenylbutanamide
Also Known As: Acetoacetyldiphenylamine, 3-oxo-N,N-diphenylbutanamide, N,N-diphenylacetoacetamide, Acetessigsaeure-diphenylamid, 3-oxo-N,N-diphenyl-butyramide
| Molecular Formula | C16H15NO2 |
|---|---|
| Molecular Weight | 253.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.11028 |
| Heavy Atoms | 19 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 2540-31-0 |
|---|---|
| SMILES | CC(=O)CC(=O)N(C1=CC=CC=C1)C2=CC=CC=C2 |
| InChIKey | VLPXGVNKPRHLGC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Oxo-N,N-diphenylbutanamide (CAS 2540-31-0), with molecular formula C16H15NO2 and molecular weight 253.11 g/mol. IUPAC: 3-oxo-N,N-diphenylbutanamide.
Chemical Property Profile of 3-Oxo-N,N-diphenylbutanamide
Property Insights of 3-Oxo-N,N-diphenylbutanamide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxo-N,N-diphenylbutanamide. With a topological polar surface area (TPSA) of 37.4 Ų, 3-Oxo-N,N-diphenylbutanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Oxo-N,N-diphenylbutanamide 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 3-Oxo-N,N-diphenylbutanamide?
The CAS number of 3-Oxo-N,N-diphenylbutanamide is 2540-31-0.
What is the molecular formula of 3-Oxo-N,N-diphenylbutanamide?
The molecular formula of 3-Oxo-N,N-diphenylbutanamide is C16H15NO2.
What is the molecular weight of 3-Oxo-N,N-diphenylbutanamide?
The molecular weight of 3-Oxo-N,N-diphenylbutanamide is 253.11 g/mol.
Where can I buy 3-Oxo-N,N-diphenylbutanamide?
You can request a quote for 3-Oxo-N,N-diphenylbutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxo-N,N-diphenylbutanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxo-N,N-diphenylbutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.