![(2S)-4-methyl-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]pentanoic acid structure](/static/products/958/958982-89-3.png)
(2S)-4-methyl-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]pentanoic acid
TL;DR: (2S)-4-methyl-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]pentanoic acid (CAS 958982-89-3) is a chemical compound with molecular formula C17H22N4O4 and molecular weight 346.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-4-methyl-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]pentanoic acid
Also Known As: N-[4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-leucine, (2S)-4-methyl-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]pentanoic acid, (S)-4-methyl-2-(4-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)butanamido)pentanoic acid, (S)-4-Methyl-2-[4-(4-oxo-4H-benzo[d][1,2,3]triazin-3-yl)-butyrylamino]-pentanoic acid, (2S)-4-METHYL-2-({4-[4-OXO-1,2,3-BENZOTRIAZIN-3(4H)-YL]BUTANOYL}AMINO)PENTANOIC ACID
| Molecular Formula | C17H22N4O4 |
|---|---|
| Molecular Weight | 346.16 g/mol |
| LogP | 1.1872 |
| Topological Polar Surface Area | 114.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 346.1641 |
| Heavy Atoms | 25 |
| Complexity | 815.64514 |
Chemical Identifiers
| CAS Number | 958982-89-3 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)O)NC(=O)CCCN1C(=O)C2=CC=CC=C2N=N1 |
Product Overview
(2S)-4-methyl-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]pentanoic acid (CAS 958982-89-3), with molecular formula C17H22N4O4 and molecular weight 346.16 g/mol. IUPAC: (2S)-4-methyl-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]pentanoic acid.
Chemical Property Profile of (2S)-4-methyl-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]pentanoic acid
Property Insights of (2S)-4-methyl-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]pentanoic acid
The XLogP value of 1.1872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-4-methyl-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]pentanoic acid. The TPSA of 114.18 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-4-methyl-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]pentanoic acid. Following Lipinski's Rule of Five, (2S)-4-methyl-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]pentanoic 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)-4-methyl-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]pentanoic acid?
The CAS number of (2S)-4-methyl-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]pentanoic acid is 958982-89-3.
What is the molecular formula of (2S)-4-methyl-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]pentanoic acid?
The molecular formula of (2S)-4-methyl-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]pentanoic acid is C17H22N4O4.
What is the molecular weight of (2S)-4-methyl-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]pentanoic acid?
The molecular weight of (2S)-4-methyl-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]pentanoic acid is 346.16 g/mol.
Where can I buy (2S)-4-methyl-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]pentanoic acid?
You can request a quote for (2S)-4-methyl-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]pentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-4-methyl-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]pentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-4-methyl-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]pentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.