![N-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetyl]-beta-alanine structure](/static/products/896/896854-10-7.png)
N-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetyl]-beta-alanine
TL;DR: N-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetyl]-beta-alanine (CAS 896854-10-7) is a chemical compound with molecular formula C12H12N4O4 and molecular weight 276.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]propanoic acid
Also Known As: N-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetyl]-beta-alanine, 3-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]propanoic acid, 3-(2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)acetamido)propanoic acid, 3-[[2-(10-oxo-7,8,9-triazabicyclo[4.4.0]deca-1,3,5,7-tetraen-9-yl)acetyl]amino]propanoic Acid
| Molecular Formula | C12H12N4O4 |
|---|---|
| Molecular Weight | 276.09 g/mol |
| LogP | -0.6176 |
| Topological Polar Surface Area | 114.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 276.08585 |
| Heavy Atoms | 20 |
| Complexity | 709.9147 |
Chemical Identifiers
| CAS Number | 896854-10-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(N=N2)CC(=O)NCCC(=O)O |
Product Overview
N-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetyl]-beta-alanine (CAS 896854-10-7), with molecular formula C12H12N4O4 and molecular weight 276.09 g/mol. IUPAC: 3-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]propanoic acid.
Chemical Property Profile of N-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetyl]-beta-alanine
Property Insights of N-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetyl]-beta-alanine
The XLogP value of -0.6176 indicates that N-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetyl]-beta-alanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.18 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetyl]-beta-alanine. Following Lipinski's Rule of Five, N-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetyl]-beta-alanine 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-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetyl]-beta-alanine?
The CAS number of N-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetyl]-beta-alanine is 896854-10-7.
What is the molecular formula of N-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetyl]-beta-alanine?
The molecular formula of N-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetyl]-beta-alanine is C12H12N4O4.
What is the molecular weight of N-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetyl]-beta-alanine?
The molecular weight of N-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetyl]-beta-alanine is 276.09 g/mol.
Where can I buy N-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetyl]-beta-alanine?
You can request a quote for N-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetyl]-beta-alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetyl]-beta-alanine?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetyl]-beta-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.