N-(1-Ethoxy-1-oxo-3-phenylpropan-2-yl)-N-nitrosocarbamimidic acid
TL;DR: N-(1-Ethoxy-1-oxo-3-phenylpropan-2-yl)-N-nitrosocarbamimidic acid (CAS 67792-89-6) is a chemical compound with molecular formula C12H15N3O4 and molecular weight 265.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[carbamoyl(nitroso)amino]-3-phenylpropanoate
Also Known As: N-Carbamoyl-N-nitroso-3-phenylalanine ethyl ester, ALANINE, N-CARBAMOYL-N-NITROSO-3-PHENYL-, ETHYL ESTER, ethyl 2-[carbamoyl(nitroso)amino]-3-phenylpropanoate, N-(1-Ethoxy-1-oxo-3-phenylpropan-2-yl)-N-nitrosocarbamimidic acid, RefChem:1090789
| Molecular Formula | C12H15N3O4 |
|---|---|
| Molecular Weight | 265.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 265.10626 |
| Heavy Atoms | 19 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 67792-89-6 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC=CC=C1)N(C(=O)N)N=O |
| InChIKey | GZEIUZIEIRUPGE-UHFFFAOYSA-N |
Product Overview
N-(1-Ethoxy-1-oxo-3-phenylpropan-2-yl)-N-nitrosocarbamimidic acid (CAS 67792-89-6), with molecular formula C12H15N3O4 and molecular weight 265.11 g/mol. IUPAC: ethyl 2-[carbamoyl(nitroso)amino]-3-phenylpropanoate.
Chemical Property Profile of N-(1-Ethoxy-1-oxo-3-phenylpropan-2-yl)-N-nitrosocarbamimidic acid
Property Insights of N-(1-Ethoxy-1-oxo-3-phenylpropan-2-yl)-N-nitrosocarbamimidic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-Ethoxy-1-oxo-3-phenylpropan-2-yl)-N-nitrosocarbamimidic acid. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-Ethoxy-1-oxo-3-phenylpropan-2-yl)-N-nitrosocarbamimidic acid. Following Lipinski's Rule of Five, N-(1-Ethoxy-1-oxo-3-phenylpropan-2-yl)-N-nitrosocarbamimidic acid has 1 hydrogen bond donor(s) and 5 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-(1-Ethoxy-1-oxo-3-phenylpropan-2-yl)-N-nitrosocarbamimidic acid?
The CAS number of N-(1-Ethoxy-1-oxo-3-phenylpropan-2-yl)-N-nitrosocarbamimidic acid is 67792-89-6.
What is the molecular formula of N-(1-Ethoxy-1-oxo-3-phenylpropan-2-yl)-N-nitrosocarbamimidic acid?
The molecular formula of N-(1-Ethoxy-1-oxo-3-phenylpropan-2-yl)-N-nitrosocarbamimidic acid is C12H15N3O4.
What is the molecular weight of N-(1-Ethoxy-1-oxo-3-phenylpropan-2-yl)-N-nitrosocarbamimidic acid?
The molecular weight of N-(1-Ethoxy-1-oxo-3-phenylpropan-2-yl)-N-nitrosocarbamimidic acid is 265.11 g/mol.
Where can I buy N-(1-Ethoxy-1-oxo-3-phenylpropan-2-yl)-N-nitrosocarbamimidic acid?
You can request a quote for N-(1-Ethoxy-1-oxo-3-phenylpropan-2-yl)-N-nitrosocarbamimidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-Ethoxy-1-oxo-3-phenylpropan-2-yl)-N-nitrosocarbamimidic acid?
Yes, KEHONG BIO provides custom synthesis services for N-(1-Ethoxy-1-oxo-3-phenylpropan-2-yl)-N-nitrosocarbamimidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.