![N-({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexyl}carbonyl)-L-valine structure](/static/products/121/1217459-16-9.png)
N-({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexyl}carbonyl)-L-valine
TL;DR: N-({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexyl}carbonyl)-L-valine (CAS 1217459-16-9) is a chemical compound with molecular formula C20H26N4O4 and molecular weight 386.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-methyl-2-[[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]butanoic acid
Also Known As: N-({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexyl}carbonyl)-L-valine, N-[[4-[(4-Oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexyl]carbonyl]-L-valine, N-{4-[(4-Oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}-L-valine, (2S)-3-methyl-2-[[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]butanoic acid, (S)-3-methyl-2-(4-((4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl)cyclohexanecarboxamido)butanoic acid
| Molecular Formula | C20H26N4O4 |
|---|---|
| Molecular Weight | 386.20 g/mol |
| LogP | 1.8233 |
| Topological Polar Surface Area | 114.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 386.1954 |
| Heavy Atoms | 28 |
| Complexity | 915.8068 |
Chemical Identifiers
| CAS Number | 1217459-16-9 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)O)NC(=O)C1CCC(CC1)CN2C(=O)C3=CC=CC=C3N=N2 |
Product Overview
N-({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexyl}carbonyl)-L-valine (CAS 1217459-16-9), with molecular formula C20H26N4O4 and molecular weight 386.20 g/mol. IUPAC: (2S)-3-methyl-2-[[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]butanoic acid.
Chemical Property Profile of N-({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexyl}carbonyl)-L-valine
Property Insights of N-({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexyl}carbonyl)-L-valine
The XLogP value of 1.8233 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexyl}carbonyl)-L-valine. The TPSA of 114.18 Ų falls within the moderate polarity range, balancing permeability and solubility for N-({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexyl}carbonyl)-L-valine. Following Lipinski's Rule of Five, N-({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexyl}carbonyl)-L-valine 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-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexyl}carbonyl)-L-valine?
The CAS number of N-({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexyl}carbonyl)-L-valine is 1217459-16-9.
What is the molecular formula of N-({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexyl}carbonyl)-L-valine?
The molecular formula of N-({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexyl}carbonyl)-L-valine is C20H26N4O4.
What is the molecular weight of N-({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexyl}carbonyl)-L-valine?
The molecular weight of N-({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexyl}carbonyl)-L-valine is 386.20 g/mol.
Where can I buy N-({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexyl}carbonyl)-L-valine?
You can request a quote for N-({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexyl}carbonyl)-L-valine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexyl}carbonyl)-L-valine?
Yes, KEHONG BIO provides custom synthesis services for N-({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexyl}carbonyl)-L-valine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.