N-benzoyl-L-phenylalaninal
TL;DR: N-benzoyl-L-phenylalaninal (CAS 4031-91-8) 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.
N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide
Also Known As: N-Benzoyl-L-phenylalaninal, N-(1-Benzyl-2-oxo-ethyl)-benzamide, benzamide, n-[(1s)-1-formyl-2-phenylethyl]-, N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide, Benzamide, N-(1-formyl-2-phenylethyl)-, (S)-
| Molecular Formula | C16H15NO2 |
|---|---|
| Molecular Weight | 253.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 253.11028 |
| Heavy Atoms | 19 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 4031-91-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[C@@H](C=O)NC(=O)C2=CC=CC=C2 |
| InChIKey | HIVDFHSZNYCJQH-HNNXBMFYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-benzoyl-L-phenylalaninal (CAS 4031-91-8), with molecular formula C16H15NO2 and molecular weight 253.11 g/mol. IUPAC: N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide.
Chemical Property Profile of N-benzoyl-L-phenylalaninal
Property Insights of N-benzoyl-L-phenylalaninal
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzoyl-L-phenylalaninal. With a topological polar surface area (TPSA) of 46.2 Ų, N-benzoyl-L-phenylalaninal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzoyl-L-phenylalaninal 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-benzoyl-L-phenylalaninal?
The CAS number of N-benzoyl-L-phenylalaninal is 4031-91-8.
What is the molecular formula of N-benzoyl-L-phenylalaninal?
The molecular formula of N-benzoyl-L-phenylalaninal is C16H15NO2.
What is the molecular weight of N-benzoyl-L-phenylalaninal?
The molecular weight of N-benzoyl-L-phenylalaninal is 253.11 g/mol.
Where can I buy N-benzoyl-L-phenylalaninal?
You can request a quote for N-benzoyl-L-phenylalaninal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzoyl-L-phenylalaninal?
Yes, KEHONG BIO provides custom synthesis services for N-benzoyl-L-phenylalaninal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.