N-acetyl-N'-nitrosotryptophan
TL;DR: N-acetyl-N'-nitrosotryptophan (CAS 53602-74-7) is a chemical compound with molecular formula C13H13N3O4 and molecular weight 275.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[acetyl(nitroso)amino]-3-(1H-indol-3-yl)propanoic acid
Also Known As: N-Acetyl-N'-nitrosotryptophan, N-acetyl-nitrosotryptophan, DL-N-Acetyl-1-nitrosotryptophan, DL-N-Acetyl-N'-nitrosotryptophan, N-acetyl-N1-nitrosotryptophan
| Molecular Formula | C13H13N3O4 |
|---|---|
| Molecular Weight | 275.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.0906 |
| Heavy Atoms | 20 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 53602-74-7 |
|---|---|
| SMILES | CC(=O)N([C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)N=O |
| InChIKey | QGCFCYSWAISKFH-LBPRGKRZSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-acetyl-N'-nitrosotryptophan (CAS 53602-74-7), with molecular formula C13H13N3O4 and molecular weight 275.09 g/mol. IUPAC: (2S)-2-[acetyl(nitroso)amino]-3-(1H-indol-3-yl)propanoic acid.
Chemical Property Profile of N-acetyl-N'-nitrosotryptophan
Property Insights of N-acetyl-N'-nitrosotryptophan
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-acetyl-N'-nitrosotryptophan. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-acetyl-N'-nitrosotryptophan. Following Lipinski's Rule of Five, N-acetyl-N'-nitrosotryptophan has 2 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?
The CAS number of N-acetyl-N'-nitrosotryptophan is 53602-74-7.
What is the molecular formula of N-acetyl-N'-nitrosotryptophan?
The molecular formula of N-acetyl-N'-nitrosotryptophan is C13H13N3O4.
What is the molecular weight of N-acetyl-N'-nitrosotryptophan?
The molecular weight of N-acetyl-N'-nitrosotryptophan is 275.09 g/mol.
Where can I buy N-acetyl-N'-nitrosotryptophan?
You can request a quote for N-acetyl-N'-nitrosotryptophan 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?
Yes, KEHONG BIO provides custom synthesis services for N-acetyl-N'-nitrosotryptophan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.