![(S)-3-methyl-2-(6-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)hexanamido)butanoic acid structure](/static/products/117/1173681-03-2.png)
(S)-3-methyl-2-(6-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)hexanamido)butanoic acid
TL;DR: (S)-3-methyl-2-(6-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)hexanamido)butanoic acid (CAS 1173681-03-2) is a chemical compound with molecular formula C18H24N4O4 and molecular weight 360.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-methyl-2-[6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanoylamino]butanoic acid
Also Known As: (S)-3-methyl-2-(6-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)hexanamido)butanoic acid, N-[6-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)hexanoyl]-L-valine, (2S)-3-methyl-2-[6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanoylamino]butanoic acid, 3-METHYL-2-[6-(4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZIN-3-YL)HEXANAMIDO]BUTANOIC ACID
| Molecular Formula | C18H24N4O4 |
|---|---|
| Molecular Weight | 360.18 g/mol |
| LogP | 1.5773 |
| Topological Polar Surface Area | 114.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 360.17975 |
| Heavy Atoms | 26 |
| Complexity | 831.2961 |
Chemical Identifiers
| CAS Number | 1173681-03-2 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)O)NC(=O)CCCCCN1C(=O)C2=CC=CC=C2N=N1 |
Product Overview
(S)-3-methyl-2-(6-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)hexanamido)butanoic acid (CAS 1173681-03-2), with molecular formula C18H24N4O4 and molecular weight 360.18 g/mol. IUPAC: (2S)-3-methyl-2-[6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanoylamino]butanoic acid.
Chemical Property Profile of (S)-3-methyl-2-(6-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)hexanamido)butanoic acid
Property Insights of (S)-3-methyl-2-(6-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)hexanamido)butanoic acid
The XLogP value of 1.5773 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-3-methyl-2-(6-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)hexanamido)butanoic acid. The TPSA of 114.18 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3-methyl-2-(6-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)hexanamido)butanoic acid. Following Lipinski's Rule of Five, (S)-3-methyl-2-(6-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)hexanamido)butanoic 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-methyl-2-(6-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)hexanamido)butanoic acid?
The CAS number of (S)-3-methyl-2-(6-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)hexanamido)butanoic acid is 1173681-03-2.
What is the molecular formula of (S)-3-methyl-2-(6-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)hexanamido)butanoic acid?
The molecular formula of (S)-3-methyl-2-(6-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)hexanamido)butanoic acid is C18H24N4O4.
What is the molecular weight of (S)-3-methyl-2-(6-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)hexanamido)butanoic acid?
The molecular weight of (S)-3-methyl-2-(6-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)hexanamido)butanoic acid is 360.18 g/mol.
Where can I buy (S)-3-methyl-2-(6-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)hexanamido)butanoic acid?
You can request a quote for (S)-3-methyl-2-(6-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)hexanamido)butanoic 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-methyl-2-(6-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)hexanamido)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-methyl-2-(6-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)hexanamido)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.