![4-{[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}butanoic acid structure](/static/products/896/896806-79-4.png)
4-{[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}butanoic acid
TL;DR: 4-{[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}butanoic acid (CAS 896806-79-4) 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.
4-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]butanoic acid
Also Known As: EiM07-17576, 4-{[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}butanoic acid, 4-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]butanoic acid, 4-(3-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanamido)butanoic acid, 4-[3-(4-Oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]butanoic acid
| Molecular Formula | C14H16N4O4 |
|---|---|
| Molecular Weight | 304.12 g/mol |
| LogP | 0.1626 |
| Topological Polar Surface Area | 114.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 304.11716 |
| Heavy Atoms | 22 |
| Complexity | 740.94543 |
Chemical Identifiers
| CAS Number | 896806-79-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(N=N2)CCC(=O)NCCCC(=O)O |
Product Overview
4-{[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}butanoic acid (CAS 896806-79-4), with molecular formula C14H16N4O4 and molecular weight 304.12 g/mol. IUPAC: 4-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]butanoic acid.
Chemical Property Profile of 4-{[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}butanoic acid
Property Insights of 4-{[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}butanoic acid
The XLogP value of 0.1626 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[3-(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-{[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}butanoic acid. Following Lipinski's Rule of Five, 4-{[3-(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-{[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}butanoic acid?
The CAS number of 4-{[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}butanoic acid is 896806-79-4.
What is the molecular formula of 4-{[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}butanoic acid?
The molecular formula of 4-{[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}butanoic acid is C14H16N4O4.
What is the molecular weight of 4-{[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}butanoic acid?
The molecular weight of 4-{[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}butanoic acid is 304.12 g/mol.
Where can I buy 4-{[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}butanoic acid?
You can request a quote for 4-{[3-(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-{[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[3-(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.