2H-1-Benzopyran-2-one, 3-(6-((4-methoxyphenyl)amino)-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazol-3-yl)-
TL;DR: 2H-1-Benzopyran-2-one, 3-(6-((4-methoxyphenyl)amino)-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazol-3-yl)- (CAS 159929-74-5) is a chemical compound with molecular formula C19H13N5O3S and molecular weight 391.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[6-(4-methoxyanilino)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]chromen-2-one
Also Known As: 2H-1-Benzopyran-2-one, 3-(6-((4-methoxyphenyl)amino)-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazol-3-yl)-, 3-[6-(4-methoxyanilino)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]chromen-2-one, 3-[6-(4-Methoxyanilino)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-2H-1-benzopyran-2-one, 3-[6-[(4-Methoxyphenyl)amino]-1,2,4-triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-2H-1-benzopyran-2-one, 3-{6-[(4-methoxyphenyl)amino]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}-2H-chromen-2-one
| Molecular Formula | C19H13N5O3S |
|---|---|
| Molecular Weight | 391.07 g/mol |
| LogP | 3.7114 |
| Topological Polar Surface Area | 94.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.0739 |
| Heavy Atoms | 28 |
| Complexity | 1353.7932 |
Chemical Identifiers
| CAS Number | 159929-74-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC2=NN3C(=NN=C3S2)C4=CC5=CC=CC=C5OC4=O |
Product Overview
2H-1-Benzopyran-2-one, 3-(6-((4-methoxyphenyl)amino)-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazol-3-yl)- (CAS 159929-74-5), with molecular formula C19H13N5O3S and molecular weight 391.07 g/mol. IUPAC: 3-[6-(4-methoxyanilino)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]chromen-2-one.
Chemical Property Profile of 2H-1-Benzopyran-2-one, 3-(6-((4-methoxyphenyl)amino)-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazol-3-yl)-
Property Insights of 2H-1-Benzopyran-2-one, 3-(6-((4-methoxyphenyl)amino)-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazol-3-yl)-
The XLogP value of 3.7114 indicates that 2H-1-Benzopyran-2-one, 3-(6-((4-methoxyphenyl)amino)-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazol-3-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1-Benzopyran-2-one, 3-(6-((4-methoxyphenyl)amino)-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazol-3-yl)-. Following Lipinski's Rule of Five, 2H-1-Benzopyran-2-one, 3-(6-((4-methoxyphenyl)amino)-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazol-3-yl)- has 1 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 2H-1-Benzopyran-2-one, 3-(6-((4-methoxyphenyl)amino)-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazol-3-yl)-?
The CAS number of 2H-1-Benzopyran-2-one, 3-(6-((4-methoxyphenyl)amino)-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazol-3-yl)- is 159929-74-5.
What is the molecular formula of 2H-1-Benzopyran-2-one, 3-(6-((4-methoxyphenyl)amino)-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazol-3-yl)-?
The molecular formula of 2H-1-Benzopyran-2-one, 3-(6-((4-methoxyphenyl)amino)-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazol-3-yl)- is C19H13N5O3S.
What is the molecular weight of 2H-1-Benzopyran-2-one, 3-(6-((4-methoxyphenyl)amino)-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazol-3-yl)-?
The molecular weight of 2H-1-Benzopyran-2-one, 3-(6-((4-methoxyphenyl)amino)-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazol-3-yl)- is 391.07 g/mol.
Where can I buy 2H-1-Benzopyran-2-one, 3-(6-((4-methoxyphenyl)amino)-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazol-3-yl)-?
You can request a quote for 2H-1-Benzopyran-2-one, 3-(6-((4-methoxyphenyl)amino)-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazol-3-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1-Benzopyran-2-one, 3-(6-((4-methoxyphenyl)amino)-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazol-3-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-Benzopyran-2-one, 3-(6-((4-methoxyphenyl)amino)-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazol-3-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.