![(2S)-2-[[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]-2-phenylacetic acid structure](/static/products/121/1217458-07-5.png)
(2S)-2-[[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]-2-phenylacetic acid
TL;DR: (2S)-2-[[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]-2-phenylacetic acid (CAS 1217458-07-5) is a chemical compound with molecular formula C23H24N4O4 and molecular weight 420.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]-2-phenylacetic acid
Also Known As: (2S)-2-[[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]-2-phenylacetic acid, (S)-{[4-(4-Oxo-4H-benzo[d][1,2,3]triazin-3-ylmethyl)-cyclohexanecarbonyl]-amino}-phenyl-acetic acid, (2S)-({4-[(4-Oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}amino)(phenyl)acetic acid, (2S)-[({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexyl}carbonyl)amino](phenyl)ethanoic acid, (2S)-2-[[4-[(4-keto-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]-2-phenyl-acetic acid
| Molecular Formula | C23H24N4O4 |
|---|---|
| Molecular Weight | 420.18 g/mol |
| LogP | 2.54 |
| Topological Polar Surface Area | 114.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.17975 |
| Heavy Atoms | 31 |
| Complexity | 1137.0266 |
Chemical Identifiers
| CAS Number | 1217458-07-5 |
|---|---|
| SMILES | C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=N2)C(=O)N[C@@H](C4=CC=CC=C4)C(=O)O |
Product Overview
(2S)-2-[[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]-2-phenylacetic acid (CAS 1217458-07-5), with molecular formula C23H24N4O4 and molecular weight 420.18 g/mol. IUPAC: (2S)-2-[[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]-2-phenylacetic acid.
Chemical Property Profile of (2S)-2-[[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]-2-phenylacetic acid
Property Insights of (2S)-2-[[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]-2-phenylacetic acid
The XLogP value of 2.54 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-[[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]-2-phenylacetic acid. The TPSA of 114.18 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-[[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]-2-phenylacetic acid. Following Lipinski's Rule of Five, (2S)-2-[[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]-2-phenylacetic 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 (2S)-2-[[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]-2-phenylacetic acid?
The CAS number of (2S)-2-[[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]-2-phenylacetic acid is 1217458-07-5.
What is the molecular formula of (2S)-2-[[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]-2-phenylacetic acid?
The molecular formula of (2S)-2-[[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]-2-phenylacetic acid is C23H24N4O4.
What is the molecular weight of (2S)-2-[[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]-2-phenylacetic acid?
The molecular weight of (2S)-2-[[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]-2-phenylacetic acid is 420.18 g/mol.
Where can I buy (2S)-2-[[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]-2-phenylacetic acid?
You can request a quote for (2S)-2-[[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]-2-phenylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-[[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]-2-phenylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-[[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]-2-phenylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.