N'-isobutyryl-N-benzyl-N-nitrosophenylalaninamide
TL;DR: N'-isobutyryl-N-benzyl-N-nitrosophenylalaninamide (CAS 6949-81-1) is a chemical compound with molecular formula C20H23N3O3 and molecular weight 353.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2R)-1-[benzyl(nitroso)amino]-1-oxo-3-phenylpropan-2-yl]-2-methylpropanamide
Also Known As: Sid 769108, N'-Isobutyryl-N-benzyl-N-nitrosophenylalaninamide, (2r)-n-benzyl-2-[(2-methylpropanoyl)amino]-n-nitroso-3-phenylpropanamide(non-preferred name), Benzenepropanamide, alpha-((2-methyl-1-oxopropyl)amino)-N-nitroso-N-(phenylmethyl)-, (R)-, N-[(2R)-1-[benzyl(nitroso)amino]-1-oxo-3-phenylpropan-2-yl]-2-methylpropanamide
| Molecular Formula | C20H23N3O3 |
|---|---|
| Molecular Weight | 353.17 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 78.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 353.17395 |
| Heavy Atoms | 26 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 6949-81-1 |
|---|---|
| SMILES | CC(C)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N(CC2=CC=CC=C2)N=O |
| InChIKey | FCFSMFOBQISTAK-GOSISDBHSA-N |
Product Overview
N'-isobutyryl-N-benzyl-N-nitrosophenylalaninamide (CAS 6949-81-1), with molecular formula C20H23N3O3 and molecular weight 353.17 g/mol. IUPAC: N-[(2R)-1-[benzyl(nitroso)amino]-1-oxo-3-phenylpropan-2-yl]-2-methylpropanamide.
Chemical Property Profile of N'-isobutyryl-N-benzyl-N-nitrosophenylalaninamide
Property Insights of N'-isobutyryl-N-benzyl-N-nitrosophenylalaninamide
The XLogP value of 3.3 indicates that N'-isobutyryl-N-benzyl-N-nitrosophenylalaninamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-isobutyryl-N-benzyl-N-nitrosophenylalaninamide. Following Lipinski's Rule of Five, N'-isobutyryl-N-benzyl-N-nitrosophenylalaninamide has 1 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 N'-isobutyryl-N-benzyl-N-nitrosophenylalaninamide?
The CAS number of N'-isobutyryl-N-benzyl-N-nitrosophenylalaninamide is 6949-81-1.
What is the molecular formula of N'-isobutyryl-N-benzyl-N-nitrosophenylalaninamide?
The molecular formula of N'-isobutyryl-N-benzyl-N-nitrosophenylalaninamide is C20H23N3O3.
What is the molecular weight of N'-isobutyryl-N-benzyl-N-nitrosophenylalaninamide?
The molecular weight of N'-isobutyryl-N-benzyl-N-nitrosophenylalaninamide is 353.17 g/mol.
Where can I buy N'-isobutyryl-N-benzyl-N-nitrosophenylalaninamide?
You can request a quote for N'-isobutyryl-N-benzyl-N-nitrosophenylalaninamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-isobutyryl-N-benzyl-N-nitrosophenylalaninamide?
Yes, KEHONG BIO provides custom synthesis services for N'-isobutyryl-N-benzyl-N-nitrosophenylalaninamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.