![2-[(5,7-dimethyl-6-oxo-4a,7a-diphenyl-1,2-dihydroimidazo[4,5-e][1,2,4]triazin-3-yl)sulfanyl]acetic acid structure](/static/products/309/309290-75-3.png)
2-[(5,7-dimethyl-6-oxo-4a,7a-diphenyl-1,2-dihydroimidazo[4,5-e][1,2,4]triazin-3-yl)sulfanyl]acetic acid
TL;DR: 2-[(5,7-dimethyl-6-oxo-4a,7a-diphenyl-1,2-dihydroimidazo[4,5-e][1,2,4]triazin-3-yl)sulfanyl]acetic acid (CAS 309290-75-3) is a chemical compound with molecular formula C20H21N5O3S and molecular weight 411.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5,7-dimethyl-6-oxo-4a,7a-diphenyl-1,2-dihydroimidazo[4,5-e][1,2,4]triazin-3-yl)sulfanyl]acetic acid
Also Known As: 2-[(5,7-dimethyl-6-oxo-4a,7a-diphenyl-1,2-dihydroimidazo[4,5-e][1,2,4]triazin-3-yl)sulfanyl]acetic acid
| Molecular Formula | C20H21N5O3S |
|---|---|
| Molecular Weight | 411.14 g/mol |
| LogP | 1.9712 |
| Topological Polar Surface Area | 97.27 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.1365 |
| Heavy Atoms | 29 |
| Complexity | 970.5967 |
Chemical Identifiers
| CAS Number | 309290-75-3 |
|---|---|
| SMILES | CN1C(=O)N(C2(C1(NNC(=N2)SCC(=O)O)C3=CC=CC=C3)C4=CC=CC=C4)C |
Product Overview
2-[(5,7-dimethyl-6-oxo-4a,7a-diphenyl-1,2-dihydroimidazo[4,5-e][1,2,4]triazin-3-yl)sulfanyl]acetic acid (CAS 309290-75-3), with molecular formula C20H21N5O3S and molecular weight 411.14 g/mol. IUPAC: 2-[(5,7-dimethyl-6-oxo-4a,7a-diphenyl-1,2-dihydroimidazo[4,5-e][1,2,4]triazin-3-yl)sulfanyl]acetic acid.
Chemical Property Profile of 2-[(5,7-dimethyl-6-oxo-4a,7a-diphenyl-1,2-dihydroimidazo[4,5-e][1,2,4]triazin-3-yl)sulfanyl]acetic acid
Property Insights of 2-[(5,7-dimethyl-6-oxo-4a,7a-diphenyl-1,2-dihydroimidazo[4,5-e][1,2,4]triazin-3-yl)sulfanyl]acetic acid
The XLogP value of 1.9712 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(5,7-dimethyl-6-oxo-4a,7a-diphenyl-1,2-dihydroimidazo[4,5-e][1,2,4]triazin-3-yl)sulfanyl]acetic acid. The TPSA of 97.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(5,7-dimethyl-6-oxo-4a,7a-diphenyl-1,2-dihydroimidazo[4,5-e][1,2,4]triazin-3-yl)sulfanyl]acetic acid. Following Lipinski's Rule of Five, 2-[(5,7-dimethyl-6-oxo-4a,7a-diphenyl-1,2-dihydroimidazo[4,5-e][1,2,4]triazin-3-yl)sulfanyl]acetic acid has 3 hydrogen bond donor(s) and 6 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 2-[(5,7-dimethyl-6-oxo-4a,7a-diphenyl-1,2-dihydroimidazo[4,5-e][1,2,4]triazin-3-yl)sulfanyl]acetic acid?
The CAS number of 2-[(5,7-dimethyl-6-oxo-4a,7a-diphenyl-1,2-dihydroimidazo[4,5-e][1,2,4]triazin-3-yl)sulfanyl]acetic acid is 309290-75-3.
What is the molecular formula of 2-[(5,7-dimethyl-6-oxo-4a,7a-diphenyl-1,2-dihydroimidazo[4,5-e][1,2,4]triazin-3-yl)sulfanyl]acetic acid?
The molecular formula of 2-[(5,7-dimethyl-6-oxo-4a,7a-diphenyl-1,2-dihydroimidazo[4,5-e][1,2,4]triazin-3-yl)sulfanyl]acetic acid is C20H21N5O3S.
What is the molecular weight of 2-[(5,7-dimethyl-6-oxo-4a,7a-diphenyl-1,2-dihydroimidazo[4,5-e][1,2,4]triazin-3-yl)sulfanyl]acetic acid?
The molecular weight of 2-[(5,7-dimethyl-6-oxo-4a,7a-diphenyl-1,2-dihydroimidazo[4,5-e][1,2,4]triazin-3-yl)sulfanyl]acetic acid is 411.14 g/mol.
Where can I buy 2-[(5,7-dimethyl-6-oxo-4a,7a-diphenyl-1,2-dihydroimidazo[4,5-e][1,2,4]triazin-3-yl)sulfanyl]acetic acid?
You can request a quote for 2-[(5,7-dimethyl-6-oxo-4a,7a-diphenyl-1,2-dihydroimidazo[4,5-e][1,2,4]triazin-3-yl)sulfanyl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(5,7-dimethyl-6-oxo-4a,7a-diphenyl-1,2-dihydroimidazo[4,5-e][1,2,4]triazin-3-yl)sulfanyl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5,7-dimethyl-6-oxo-4a,7a-diphenyl-1,2-dihydroimidazo[4,5-e][1,2,4]triazin-3-yl)sulfanyl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.