Benzeneacetamide, alpha-(1,3-dioxobutyl)-
TL;DR: Benzeneacetamide, alpha-(1,3-dioxobutyl)- (CAS 72333-16-5) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3,5-dioxo-2-phenylhexanamide
Also Known As: 2-Phenyl-3,5-dioxohexanamide, (2S)-3,5-dioxo-2-phenylhexanamide, Benzeneacetamide, alpha-(1,3-dioxobutyl)-, Benzeneacetamide, .alpha.-(1,3-dioxobutyl)-, RefChem:562813
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 0.8037 |
| Topological Polar Surface Area | 77.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 411.53186 |
Chemical Identifiers
| CAS Number | 72333-16-5 |
|---|---|
| SMILES | CC(=O)CC(=O)[C@H](C1=CC=CC=C1)C(=O)N |
Product Overview
Benzeneacetamide, alpha-(1,3-dioxobutyl)- (CAS 72333-16-5), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: (2S)-3,5-dioxo-2-phenylhexanamide.
Chemical Property Profile of Benzeneacetamide, alpha-(1,3-dioxobutyl)-
Property Insights of Benzeneacetamide, alpha-(1,3-dioxobutyl)-
The XLogP value of 0.8037 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetamide, alpha-(1,3-dioxobutyl)-. The TPSA of 77.23 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetamide, alpha-(1,3-dioxobutyl)-. Following Lipinski's Rule of Five, Benzeneacetamide, alpha-(1,3-dioxobutyl)- has 1 hydrogen bond donor(s) and 3 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 Benzeneacetamide, alpha-(1,3-dioxobutyl)-?
The CAS number of Benzeneacetamide, alpha-(1,3-dioxobutyl)- is 72333-16-5.
What is the molecular formula of Benzeneacetamide, alpha-(1,3-dioxobutyl)-?
The molecular formula of Benzeneacetamide, alpha-(1,3-dioxobutyl)- is C12H13NO3.
What is the molecular weight of Benzeneacetamide, alpha-(1,3-dioxobutyl)-?
The molecular weight of Benzeneacetamide, alpha-(1,3-dioxobutyl)- is 219.09 g/mol.
Where can I buy Benzeneacetamide, alpha-(1,3-dioxobutyl)-?
You can request a quote for Benzeneacetamide, alpha-(1,3-dioxobutyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetamide, alpha-(1,3-dioxobutyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetamide, alpha-(1,3-dioxobutyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.