![(2S)-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]propanoic acid structure](/static/products/958/958950-96-4.png)
(2S)-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]propanoic acid
TL;DR: (2S)-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]propanoic acid (CAS 958950-96-4) is a chemical compound with molecular formula C14H16N4O4 and molecular weight 304.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]propanoic acid
Also Known As: (2S)-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]propanoic acid, N-[4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-alanine, (S)-2-(4-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)butanamido)propanoic acid, (S)-2-[4-(4-Oxo-4H-benzo[d][1,2,3]triazin-3-yl)-butyrylamino]-propionic acid, 2-[4-(10-oxo-7,8,9-triazabicyclo[4.4.0]deca-1,3,5,7-tetraen-9-yl)butanoylamino]propanoic Acid
| Molecular Formula | C14H16N4O4 |
|---|---|
| Molecular Weight | 304.12 g/mol |
| LogP | 0.161 |
| Topological Polar Surface Area | 114.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 304.11716 |
| Heavy Atoms | 22 |
| Complexity | 755.8364 |
Chemical Identifiers
| CAS Number | 958950-96-4 |
|---|---|
| SMILES | C[C@@H](C(=O)O)NC(=O)CCCN1C(=O)C2=CC=CC=C2N=N1 |
Product Overview
(2S)-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]propanoic acid (CAS 958950-96-4), with molecular formula C14H16N4O4 and molecular weight 304.12 g/mol. IUPAC: (2S)-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]propanoic acid.
Chemical Property Profile of (2S)-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]propanoic acid
Property Insights of (2S)-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]propanoic acid
The XLogP value of 0.161 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]propanoic acid. The TPSA of 114.18 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]propanoic acid. Following Lipinski's Rule of Five, (2S)-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]propanoic acid 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 (2S)-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]propanoic acid?
The CAS number of (2S)-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]propanoic acid is 958950-96-4.
What is the molecular formula of (2S)-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]propanoic acid?
The molecular formula of (2S)-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]propanoic acid is C14H16N4O4.
What is the molecular weight of (2S)-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]propanoic acid?
The molecular weight of (2S)-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]propanoic acid is 304.12 g/mol.
Where can I buy (2S)-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]propanoic acid?
You can request a quote for (2S)-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.