![N-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]-L-tryptophan structure](/static/products/958/958983-95-4.png)
N-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]-L-tryptophan
TL;DR: N-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]-L-tryptophan (CAS 958983-95-4) is a chemical compound with molecular formula C21H19N5O4 and molecular weight 405.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-(1H-indol-3-yl)-2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]propanoic acid
Also Known As: N-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]-L-tryptophan, (2S)-3-(1H-indol-3-yl)-2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]propanoic acid, (S)-3-(1H-indol-3-yl)-2-(3-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanamido)propanoic acid, (S)-3-(1H-Indol-3-yl)-2-[3-(4-oxo-4H-benzo[d][1,2,3]triazin-3-yl)-propionylamino]-propionic acid
| Molecular Formula | C21H19N5O4 |
|---|---|
| Molecular Weight | 405.14 g/mol |
| LogP | 1.475 |
| Topological Polar Surface Area | 129.97 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 405.1437 |
| Heavy Atoms | 30 |
| Complexity | 1293.2944 |
Chemical Identifiers
| CAS Number | 958983-95-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)CCN3C(=O)C4=CC=CC=C4N=N3 |
Product Overview
N-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]-L-tryptophan (CAS 958983-95-4), with molecular formula C21H19N5O4 and molecular weight 405.14 g/mol. IUPAC: (2S)-3-(1H-indol-3-yl)-2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]propanoic acid.
Chemical Property Profile of N-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]-L-tryptophan
Property Insights of N-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]-L-tryptophan
The XLogP value of 1.475 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]-L-tryptophan. The TPSA of 129.97 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]-L-tryptophan. Following Lipinski's Rule of Five, N-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]-L-tryptophan has 3 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-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]-L-tryptophan?
The CAS number of N-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]-L-tryptophan is 958983-95-4.
What is the molecular formula of N-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]-L-tryptophan?
The molecular formula of N-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]-L-tryptophan is C21H19N5O4.
What is the molecular weight of N-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]-L-tryptophan?
The molecular weight of N-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]-L-tryptophan is 405.14 g/mol.
Where can I buy N-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]-L-tryptophan?
You can request a quote for N-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]-L-tryptophan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]-L-tryptophan?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]-L-tryptophan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.