![3-(4-((4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl)cyclohexanecarboxamido)propanoic acid structure](/static/products/879/879577-65-8.png)
3-(4-((4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl)cyclohexanecarboxamido)propanoic acid
TL;DR: 3-(4-((4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl)cyclohexanecarboxamido)propanoic acid (CAS 879577-65-8) is a chemical compound with molecular formula C18H22N4O4 and molecular weight 358.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]propanoic acid
Also Known As: 3-(4-((4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl)cyclohexanecarboxamido)propanoic acid, 3-[[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]propanoic acid, N-({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexyl}carbonyl)-beta-alanine, 3-({4-[(4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZIN-3-YL)METHYL]CYCLOHEXYL}FORMAMIDO)PROPANOIC ACID
| Molecular Formula | C18H22N4O4 |
|---|---|
| Molecular Weight | 358.16 g/mol |
| LogP | 1.1888 |
| Topological Polar Surface Area | 114.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.1641 |
| Heavy Atoms | 26 |
| Complexity | 855.6351 |
Chemical Identifiers
| CAS Number | 879577-65-8 |
|---|---|
| SMILES | C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=N2)C(=O)NCCC(=O)O |
Product Overview
3-(4-((4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl)cyclohexanecarboxamido)propanoic acid (CAS 879577-65-8), with molecular formula C18H22N4O4 and molecular weight 358.16 g/mol. IUPAC: 3-[[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]propanoic acid.
Chemical Property Profile of 3-(4-((4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl)cyclohexanecarboxamido)propanoic acid
Property Insights of 3-(4-((4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl)cyclohexanecarboxamido)propanoic acid
The XLogP value of 1.1888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-((4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl)cyclohexanecarboxamido)propanoic acid. The TPSA of 114.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-((4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl)cyclohexanecarboxamido)propanoic acid. Following Lipinski's Rule of Five, 3-(4-((4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl)cyclohexanecarboxamido)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 3-(4-((4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl)cyclohexanecarboxamido)propanoic acid?
The CAS number of 3-(4-((4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl)cyclohexanecarboxamido)propanoic acid is 879577-65-8.
What is the molecular formula of 3-(4-((4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl)cyclohexanecarboxamido)propanoic acid?
The molecular formula of 3-(4-((4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl)cyclohexanecarboxamido)propanoic acid is C18H22N4O4.
What is the molecular weight of 3-(4-((4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl)cyclohexanecarboxamido)propanoic acid?
The molecular weight of 3-(4-((4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl)cyclohexanecarboxamido)propanoic acid is 358.16 g/mol.
Where can I buy 3-(4-((4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl)cyclohexanecarboxamido)propanoic acid?
You can request a quote for 3-(4-((4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl)cyclohexanecarboxamido)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-((4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl)cyclohexanecarboxamido)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-((4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl)cyclohexanecarboxamido)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.