N-acetyl-N'-nitrosotryptophan methyl ester
TL;DR: N-acetyl-N'-nitrosotryptophan methyl ester (CAS 53659-33-9) is a chemical compound with molecular formula C14H15N3O4 and molecular weight 289.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[acetyl(nitroso)amino]-3-(1H-indol-3-yl)propanoate
Also Known As: N-Acetyl-N'-nitrosotryptophan methyl ester, Cid 148648, DL-N-Acetyl-1-nitrosotryptophan methyl ester, DL-N-Acetyl-N'-nitrosotryptophan methyl ester, N-Acetyl-N(1)-nitroso-L-tryptophan-methylester
| Molecular Formula | C14H15N3O4 |
|---|---|
| Molecular Weight | 289.11 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 91.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 289.10626 |
| Heavy Atoms | 21 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 53659-33-9 |
|---|---|
| SMILES | CC(=O)N([C@@H](CC1=CNC2=CC=CC=C21)C(=O)OC)N=O |
| InChIKey | AGKSTJOYUCWFJZ-ZDUSSCGKSA-N |
Product Overview
N-acetyl-N'-nitrosotryptophan methyl ester (CAS 53659-33-9), with molecular formula C14H15N3O4 and molecular weight 289.11 g/mol. IUPAC: methyl (2S)-2-[acetyl(nitroso)amino]-3-(1H-indol-3-yl)propanoate.
Chemical Property Profile of N-acetyl-N'-nitrosotryptophan methyl ester
Property Insights of N-acetyl-N'-nitrosotryptophan methyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-acetyl-N'-nitrosotryptophan methyl ester. The TPSA of 91.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-acetyl-N'-nitrosotryptophan methyl ester. Following Lipinski's Rule of Five, N-acetyl-N'-nitrosotryptophan methyl ester 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-acetyl-N'-nitrosotryptophan methyl ester?
The CAS number of N-acetyl-N'-nitrosotryptophan methyl ester is 53659-33-9.
What is the molecular formula of N-acetyl-N'-nitrosotryptophan methyl ester?
The molecular formula of N-acetyl-N'-nitrosotryptophan methyl ester is C14H15N3O4.
What is the molecular weight of N-acetyl-N'-nitrosotryptophan methyl ester?
The molecular weight of N-acetyl-N'-nitrosotryptophan methyl ester is 289.11 g/mol.
Where can I buy N-acetyl-N'-nitrosotryptophan methyl ester?
You can request a quote for N-acetyl-N'-nitrosotryptophan methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-acetyl-N'-nitrosotryptophan methyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-acetyl-N'-nitrosotryptophan methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.