![4-(((2S,3S)-3-methyl-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)pentanamido)methyl)cyclohexanecarboxylic acid structure](/static/products/116/1166836-39-0.png)
4-(((2S,3S)-3-methyl-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)pentanamido)methyl)cyclohexanecarboxylic acid
TL;DR: 4-(((2S,3S)-3-methyl-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)pentanamido)methyl)cyclohexanecarboxylic acid (CAS 1166836-39-0) is a chemical compound with molecular formula C21H28N4O4 and molecular weight 400.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentanoyl]amino]methyl]cyclohexane-1-carboxylic acid
Also Known As: 4-(((2S,3S)-3-methyl-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)pentanamido)methyl)cyclohexanecarboxylic acid, 4-{[(S)-3-Methyl-2-(4-oxo-4H-benzo[d][1,2,3]triazin-3-yl)-pentanoylamino]-methyl}-cyclohexanecarboxyli c acid
| Molecular Formula | C21H28N4O4 |
|---|---|
| Molecular Weight | 400.21 g/mol |
| LogP | 2.3859 |
| Topological Polar Surface Area | 114.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.21106 |
| Heavy Atoms | 29 |
| Complexity | 933.66815 |
Chemical Identifiers
| CAS Number | 1166836-39-0 |
|---|---|
| SMILES | CCC(C)[C@@H](C(=O)NCC1CCC(CC1)C(=O)O)N2C(=O)C3=CC=CC=C3N=N2 |
Product Overview
4-(((2S,3S)-3-methyl-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)pentanamido)methyl)cyclohexanecarboxylic acid (CAS 1166836-39-0), with molecular formula C21H28N4O4 and molecular weight 400.21 g/mol. IUPAC: 4-[[[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentanoyl]amino]methyl]cyclohexane-1-carboxylic acid.
Chemical Property Profile of 4-(((2S,3S)-3-methyl-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)pentanamido)methyl)cyclohexanecarboxylic acid
Property Insights of 4-(((2S,3S)-3-methyl-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)pentanamido)methyl)cyclohexanecarboxylic acid
The XLogP value of 2.3859 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(((2S,3S)-3-methyl-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)pentanamido)methyl)cyclohexanecarboxylic acid. The TPSA of 114.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(((2S,3S)-3-methyl-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)pentanamido)methyl)cyclohexanecarboxylic acid. Following Lipinski's Rule of Five, 4-(((2S,3S)-3-methyl-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)pentanamido)methyl)cyclohexanecarboxylic 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-(((2S,3S)-3-methyl-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)pentanamido)methyl)cyclohexanecarboxylic acid?
The CAS number of 4-(((2S,3S)-3-methyl-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)pentanamido)methyl)cyclohexanecarboxylic acid is 1166836-39-0.
What is the molecular formula of 4-(((2S,3S)-3-methyl-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)pentanamido)methyl)cyclohexanecarboxylic acid?
The molecular formula of 4-(((2S,3S)-3-methyl-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)pentanamido)methyl)cyclohexanecarboxylic acid is C21H28N4O4.
What is the molecular weight of 4-(((2S,3S)-3-methyl-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)pentanamido)methyl)cyclohexanecarboxylic acid?
The molecular weight of 4-(((2S,3S)-3-methyl-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)pentanamido)methyl)cyclohexanecarboxylic acid is 400.21 g/mol.
Where can I buy 4-(((2S,3S)-3-methyl-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)pentanamido)methyl)cyclohexanecarboxylic acid?
You can request a quote for 4-(((2S,3S)-3-methyl-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)pentanamido)methyl)cyclohexanecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(((2S,3S)-3-methyl-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)pentanamido)methyl)cyclohexanecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(((2S,3S)-3-methyl-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)pentanamido)methyl)cyclohexanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.