![(S)-3-(2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanamido)propanoic acid structure](/static/products/117/1173679-95-2.png)
(S)-3-(2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanamido)propanoic acid
TL;DR: (S)-3-(2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanamido)propanoic acid (CAS 1173679-95-2) is a chemical compound with molecular formula C13H14N4O4 and molecular weight 290.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoyl]amino]propanoic acid
Also Known As: EiM07-17600, N-[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]-beta-alanine, (S)-3-(2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanamido)propanoic acid, 3-[[(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoyl]amino]propanoic acid, 3-[2-(4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZIN-3-YL)PROPANAMIDO]PROPANOIC ACID
| Molecular Formula | C13H14N4O4 |
|---|---|
| Molecular Weight | 290.10 g/mol |
| LogP | -0.0566 |
| Topological Polar Surface Area | 114.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 290.1015 |
| Heavy Atoms | 21 |
| Complexity | 740.2738 |
Chemical Identifiers
| CAS Number | 1173679-95-2 |
|---|---|
| SMILES | C[C@@H](C(=O)NCCC(=O)O)N1C(=O)C2=CC=CC=C2N=N1 |
Product Overview
(S)-3-(2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanamido)propanoic acid (CAS 1173679-95-2), with molecular formula C13H14N4O4 and molecular weight 290.10 g/mol. IUPAC: 3-[[(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoyl]amino]propanoic acid.
Chemical Property Profile of (S)-3-(2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanamido)propanoic acid
Property Insights of (S)-3-(2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanamido)propanoic acid
The XLogP value of -0.0566 indicates that (S)-3-(2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanamido)propanoic acid 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 (S)-3-(2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanamido)propanoic acid. Following Lipinski's Rule of Five, (S)-3-(2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanamido)propanoic 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 (S)-3-(2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanamido)propanoic acid?
The CAS number of (S)-3-(2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanamido)propanoic acid is 1173679-95-2.
What is the molecular formula of (S)-3-(2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanamido)propanoic acid?
The molecular formula of (S)-3-(2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanamido)propanoic acid is C13H14N4O4.
What is the molecular weight of (S)-3-(2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanamido)propanoic acid?
The molecular weight of (S)-3-(2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanamido)propanoic acid is 290.10 g/mol.
Where can I buy (S)-3-(2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanamido)propanoic acid?
You can request a quote for (S)-3-(2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanamido)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-3-(2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanamido)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-(2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanamido)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.