![N-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-valine structure](/static/products/117/1173680-07-3.png)
N-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-valine
TL;DR: N-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-valine (CAS 1173680-07-3) 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)-3-methyl-2-[[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]butanoic acid
Also Known As: EiM07-17617, AB01298897-01, N-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-valine, (2S)-3-methyl-2-[[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]butanoic acid, (S)-3-methyl-2-((S)-3-methyl-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)butanamido)butanoic acid
| Molecular Formula | C17H22N4O4 |
|---|---|
| Molecular Weight | 346.16 g/mol |
| LogP | 1.214 |
| Topological Polar Surface Area | 114.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.1641 |
| Heavy Atoms | 25 |
| Complexity | 843.9019 |
Chemical Identifiers
| CAS Number | 1173680-07-3 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)N1C(=O)C2=CC=CC=C2N=N1 |
Product Overview
N-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-valine (CAS 1173680-07-3), with molecular formula C17H22N4O4 and molecular weight 346.16 g/mol. IUPAC: (2S)-3-methyl-2-[[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]butanoic acid.
Chemical Property Profile of N-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-valine
Property Insights of N-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-valine
The XLogP value of 1.214 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-valine. The TPSA of 114.18 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-valine. Following Lipinski's Rule of Five, N-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-valine 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-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-valine?
The CAS number of N-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-valine is 1173680-07-3.
What is the molecular formula of N-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-valine?
The molecular formula of N-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-valine is C17H22N4O4.
What is the molecular weight of N-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-valine?
The molecular weight of N-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-valine is 346.16 g/mol.
Where can I buy N-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-valine?
You can request a quote for N-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-valine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-valine?
Yes, KEHONG BIO provides custom synthesis services for N-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-valine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.