3-(4-Oxo-1,2,3-benzotriazin-3-yl)propanoate
TL;DR: 3-(4-Oxo-1,2,3-benzotriazin-3-yl)propanoate (CAS 51672-79-8) is a chemical compound with molecular formula C10H8N3O3- and molecular weight 218.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate
Also Known As: 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate, 3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoic acid
| Molecular Formula | C10H8N3O3- |
|---|---|
| Molecular Weight | 218.06 g/mol |
| LogP | -1.0685 |
| Topological Polar Surface Area | 87.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.05656 |
| Heavy Atoms | 16 |
| Complexity | 591.1241 |
Chemical Identifiers
| CAS Number | 51672-79-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(N=N2)CCC(=O)[O-] |
Product Overview
3-(4-Oxo-1,2,3-benzotriazin-3-yl)propanoate (CAS 51672-79-8), with molecular formula C10H8N3O3- and molecular weight 218.06 g/mol. IUPAC: 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate.
Chemical Property Profile of 3-(4-Oxo-1,2,3-benzotriazin-3-yl)propanoate
Property Insights of 3-(4-Oxo-1,2,3-benzotriazin-3-yl)propanoate
The XLogP value of -1.0685 indicates that 3-(4-Oxo-1,2,3-benzotriazin-3-yl)propanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Oxo-1,2,3-benzotriazin-3-yl)propanoate. Following Lipinski's Rule of Five, 3-(4-Oxo-1,2,3-benzotriazin-3-yl)propanoate has 0 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 3-(4-Oxo-1,2,3-benzotriazin-3-yl)propanoate?
The CAS number of 3-(4-Oxo-1,2,3-benzotriazin-3-yl)propanoate is 51672-79-8.
What is the molecular formula of 3-(4-Oxo-1,2,3-benzotriazin-3-yl)propanoate?
The molecular formula of 3-(4-Oxo-1,2,3-benzotriazin-3-yl)propanoate is C10H8N3O3-.
What is the molecular weight of 3-(4-Oxo-1,2,3-benzotriazin-3-yl)propanoate?
The molecular weight of 3-(4-Oxo-1,2,3-benzotriazin-3-yl)propanoate is 218.06 g/mol.
Where can I buy 3-(4-Oxo-1,2,3-benzotriazin-3-yl)propanoate?
You can request a quote for 3-(4-Oxo-1,2,3-benzotriazin-3-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Oxo-1,2,3-benzotriazin-3-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Oxo-1,2,3-benzotriazin-3-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.