Benzenepropanamide, alpha-((2-(acetyloxy)benzoyl)amino)-, (S)-
TL;DR: Benzenepropanamide, alpha-((2-(acetyloxy)benzoyl)amino)-, (S)- (CAS 80691-03-8) is a chemical compound with molecular formula C18H18N2O4 and molecular weight 326.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]phenyl] acetate
Also Known As: 2-(alpha-Methylbenzyl)acrylaldehyde, Benzenepropanamide, alpha-((2-(acetyloxy)benzoyl)amino)-, (S)-, [2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]phenyl] acetate, 2-{[(2S)-1-Amino-1-oxo-3-phenylpropan-2-yl]carbamoyl}phenyl acetate
| Molecular Formula | C18H18N2O4 |
|---|---|
| Molecular Weight | 326.13 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 98.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 326.12665 |
| Heavy Atoms | 24 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 80691-03-8 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N |
| InChIKey | AYEVUZKVHFYRJP-HNNXBMFYSA-N |
Product Overview
Benzenepropanamide, alpha-((2-(acetyloxy)benzoyl)amino)-, (S)- (CAS 80691-03-8), with molecular formula C18H18N2O4 and molecular weight 326.13 g/mol. IUPAC: [2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]phenyl] acetate.
Chemical Property Profile of Benzenepropanamide, alpha-((2-(acetyloxy)benzoyl)amino)-, (S)-
Property Insights of Benzenepropanamide, alpha-((2-(acetyloxy)benzoyl)amino)-, (S)-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenepropanamide, alpha-((2-(acetyloxy)benzoyl)amino)-, (S)-. The TPSA of 98.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenepropanamide, alpha-((2-(acetyloxy)benzoyl)amino)-, (S)-. Following Lipinski's Rule of Five, Benzenepropanamide, alpha-((2-(acetyloxy)benzoyl)amino)-, (S)- has 2 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 Benzenepropanamide, alpha-((2-(acetyloxy)benzoyl)amino)-, (S)-?
The CAS number of Benzenepropanamide, alpha-((2-(acetyloxy)benzoyl)amino)-, (S)- is 80691-03-8.
What is the molecular formula of Benzenepropanamide, alpha-((2-(acetyloxy)benzoyl)amino)-, (S)-?
The molecular formula of Benzenepropanamide, alpha-((2-(acetyloxy)benzoyl)amino)-, (S)- is C18H18N2O4.
What is the molecular weight of Benzenepropanamide, alpha-((2-(acetyloxy)benzoyl)amino)-, (S)-?
The molecular weight of Benzenepropanamide, alpha-((2-(acetyloxy)benzoyl)amino)-, (S)- is 326.13 g/mol.
Where can I buy Benzenepropanamide, alpha-((2-(acetyloxy)benzoyl)amino)-, (S)-?
You can request a quote for Benzenepropanamide, alpha-((2-(acetyloxy)benzoyl)amino)-, (S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenepropanamide, alpha-((2-(acetyloxy)benzoyl)amino)-, (S)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenepropanamide, alpha-((2-(acetyloxy)benzoyl)amino)-, (S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.