N-1-naphthyl-3-oxobutyramide
TL;DR: N-1-naphthyl-3-oxobutyramide (CAS 86-83-9) is a chemical compound with molecular formula C14H13NO2 and molecular weight 227.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-naphthalen-1-yl-3-oxobutanamide
Also Known As: N-1-Naphthylacetoacetamide, N-1-Naphthyl-3-oxobutyramide, A-Naphtylacetoacetanilide, Butanamide, N-1-naphthalenyl-3-oxo-, Acetoacet .alpha.-naphthylamide
| Molecular Formula | C14H13NO2 |
|---|---|
| Molecular Weight | 227.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.09464 |
| Heavy Atoms | 17 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 86-83-9 |
|---|---|
| SMILES | CC(=O)CC(=O)NC1=CC=CC2=CC=CC=C21 |
| InChIKey | LKVXQCKDIYHFGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-1-naphthyl-3-oxobutyramide (CAS 86-83-9), with molecular formula C14H13NO2 and molecular weight 227.09 g/mol. IUPAC: N-naphthalen-1-yl-3-oxobutanamide.
Chemical Property Profile of N-1-naphthyl-3-oxobutyramide
Property Insights of N-1-naphthyl-3-oxobutyramide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-1-naphthyl-3-oxobutyramide. With a topological polar surface area (TPSA) of 46.2 Ų, N-1-naphthyl-3-oxobutyramide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-1-naphthyl-3-oxobutyramide has 1 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 N-1-naphthyl-3-oxobutyramide?
The CAS number of N-1-naphthyl-3-oxobutyramide is 86-83-9.
What is the molecular formula of N-1-naphthyl-3-oxobutyramide?
The molecular formula of N-1-naphthyl-3-oxobutyramide is C14H13NO2.
What is the molecular weight of N-1-naphthyl-3-oxobutyramide?
The molecular weight of N-1-naphthyl-3-oxobutyramide is 227.09 g/mol.
Where can I buy N-1-naphthyl-3-oxobutyramide?
You can request a quote for N-1-naphthyl-3-oxobutyramide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-1-naphthyl-3-oxobutyramide?
Yes, KEHONG BIO provides custom synthesis services for N-1-naphthyl-3-oxobutyramide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.