Butanamide, N-(1,3-dioxobutyl)-N-(2-methylphenyl)-3-oxo-
TL;DR: Butanamide, N-(1,3-dioxobutyl)-N-(2-methylphenyl)-3-oxo- (CAS 68912-00-5) is a chemical compound with molecular formula C15H17NO4 and molecular weight 275.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methylphenyl)-3-oxo-N-(3-oxobutanoyl)butanamide
Also Known As: Diacetoacetato-o-toluidide, N-(O-Tolyl)-Diacetoacetamide, N-(1,3-Dioxobutyl)-3-oxo-N-(o-tolyl)butyramide, N-(2-methylphenyl)-3-oxo-N-(3-oxobutanoyl)butanamide, Butanamide, N-(1,3-dioxobutyl)-N-(2-methylphenyl)-3-oxo-
| Molecular Formula | C15H17NO4 |
|---|---|
| Molecular Weight | 275.12 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 71.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.11575 |
| Heavy Atoms | 20 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 68912-00-5 |
|---|---|
| SMILES | CC1=CC=CC=C1N(C(=O)CC(=O)C)C(=O)CC(=O)C |
| InChIKey | OPJGBIZKNKLMSX-UHFFFAOYSA-N |
Product Overview
Butanamide, N-(1,3-dioxobutyl)-N-(2-methylphenyl)-3-oxo- (CAS 68912-00-5), with molecular formula C15H17NO4 and molecular weight 275.12 g/mol. IUPAC: N-(2-methylphenyl)-3-oxo-N-(3-oxobutanoyl)butanamide.
Chemical Property Profile of Butanamide, N-(1,3-dioxobutyl)-N-(2-methylphenyl)-3-oxo-
Property Insights of Butanamide, N-(1,3-dioxobutyl)-N-(2-methylphenyl)-3-oxo-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanamide, N-(1,3-dioxobutyl)-N-(2-methylphenyl)-3-oxo-. The TPSA of 71.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanamide, N-(1,3-dioxobutyl)-N-(2-methylphenyl)-3-oxo-. Following Lipinski's Rule of Five, Butanamide, N-(1,3-dioxobutyl)-N-(2-methylphenyl)-3-oxo- 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 Butanamide, N-(1,3-dioxobutyl)-N-(2-methylphenyl)-3-oxo-?
The CAS number of Butanamide, N-(1,3-dioxobutyl)-N-(2-methylphenyl)-3-oxo- is 68912-00-5.
What is the molecular formula of Butanamide, N-(1,3-dioxobutyl)-N-(2-methylphenyl)-3-oxo-?
The molecular formula of Butanamide, N-(1,3-dioxobutyl)-N-(2-methylphenyl)-3-oxo- is C15H17NO4.
What is the molecular weight of Butanamide, N-(1,3-dioxobutyl)-N-(2-methylphenyl)-3-oxo-?
The molecular weight of Butanamide, N-(1,3-dioxobutyl)-N-(2-methylphenyl)-3-oxo- is 275.12 g/mol.
Where can I buy Butanamide, N-(1,3-dioxobutyl)-N-(2-methylphenyl)-3-oxo-?
You can request a quote for Butanamide, N-(1,3-dioxobutyl)-N-(2-methylphenyl)-3-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanamide, N-(1,3-dioxobutyl)-N-(2-methylphenyl)-3-oxo-?
Yes, KEHONG BIO provides custom synthesis services for Butanamide, N-(1,3-dioxobutyl)-N-(2-methylphenyl)-3-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.