![4-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}butanoic acid structure](/static/products/117/1173680-11-9.png)
4-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}butanoic acid
TL;DR: 4-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}butanoic acid (CAS 1173680-11-9) 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.
4-[[(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoyl]amino]butanoic acid
Also Known As: EiM07-17601, 4-[[(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoyl]amino]butanoic acid, (S)-4-(2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanamido)butanoic acid, 4-[2-(4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZIN-3-YL)PROPANAMIDO]BUTANOIC ACID, 4-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}butanoic acid
| Molecular Formula | C14H16N4O4 |
|---|---|
| Molecular Weight | 304.12 g/mol |
| LogP | 0.3335 |
| 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 | 1173680-11-9 |
|---|---|
| SMILES | C[C@@H](C(=O)NCCCC(=O)O)N1C(=O)C2=CC=CC=C2N=N1 |
Product Overview
4-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}butanoic acid (CAS 1173680-11-9), with molecular formula C14H16N4O4 and molecular weight 304.12 g/mol. IUPAC: 4-[[(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoyl]amino]butanoic acid.
Chemical Property Profile of 4-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}butanoic acid
Property Insights of 4-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}butanoic acid
The XLogP value of 0.3335 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}butanoic acid. The TPSA of 114.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}butanoic acid. Following Lipinski's Rule of Five, 4-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}butanoic 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 4-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}butanoic acid?
The CAS number of 4-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}butanoic acid is 1173680-11-9.
What is the molecular formula of 4-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}butanoic acid?
The molecular formula of 4-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}butanoic acid is C14H16N4O4.
What is the molecular weight of 4-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}butanoic acid?
The molecular weight of 4-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}butanoic acid is 304.12 g/mol.
Where can I buy 4-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}butanoic acid?
You can request a quote for 4-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.