![3-[(3,4-dimethoxyphenyl)methyl]-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine structure](/static/products/898/898635-98-8.png)
3-[(3,4-dimethoxyphenyl)methyl]-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
TL;DR: 3-[(3,4-dimethoxyphenyl)methyl]-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CAS 898635-98-8) is a chemical compound with molecular formula C19H17N5O4S and molecular weight 411.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3,4-dimethoxyphenyl)methyl]-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Also Known As: 3-[(3,4-dimethoxyphenyl)methyl]-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine, F2687-0179, 3-(3,4-dimethoxybenzyl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
| Molecular Formula | C19H17N5O4S |
|---|---|
| Molecular Weight | 411.10 g/mol |
| LogP | 3.1524 |
| Topological Polar Surface Area | 104.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.10013 |
| Heavy Atoms | 29 |
| Complexity | 1094.479 |
Chemical Identifiers
| CAS Number | 898635-98-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC2=NN=C3N2N=C(CS3)C4=CC=C(C=C4)[N+](=O)[O-])OC |
Product Overview
3-[(3,4-dimethoxyphenyl)methyl]-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CAS 898635-98-8), with molecular formula C19H17N5O4S and molecular weight 411.10 g/mol. IUPAC: 3-[(3,4-dimethoxyphenyl)methyl]-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
Chemical Property Profile of 3-[(3,4-dimethoxyphenyl)methyl]-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Property Insights of 3-[(3,4-dimethoxyphenyl)methyl]-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
The XLogP value of 3.1524 indicates that 3-[(3,4-dimethoxyphenyl)methyl]-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(3,4-dimethoxyphenyl)methyl]-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine. Following Lipinski's Rule of Five, 3-[(3,4-dimethoxyphenyl)methyl]-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has 0 hydrogen bond donor(s) and 8 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 3-[(3,4-dimethoxyphenyl)methyl]-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The CAS number of 3-[(3,4-dimethoxyphenyl)methyl]-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is 898635-98-8.
What is the molecular formula of 3-[(3,4-dimethoxyphenyl)methyl]-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The molecular formula of 3-[(3,4-dimethoxyphenyl)methyl]-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is C19H17N5O4S.
What is the molecular weight of 3-[(3,4-dimethoxyphenyl)methyl]-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The molecular weight of 3-[(3,4-dimethoxyphenyl)methyl]-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is 411.10 g/mol.
Where can I buy 3-[(3,4-dimethoxyphenyl)methyl]-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
You can request a quote for 3-[(3,4-dimethoxyphenyl)methyl]-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(3,4-dimethoxyphenyl)methyl]-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3,4-dimethoxyphenyl)methyl]-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.