1,2,3-Benzenetriol, 4-(3-methyl-7H-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazin-6-yl)-, monohydrochloride
TL;DR: 1,2,3-Benzenetriol, 4-(3-methyl-7H-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazin-6-yl)-, monohydrochloride (CAS 69560-92-5) is a chemical compound with molecular formula C11H11ClN4O3S and molecular weight 314.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)benzene-1,2,3-triol;hydrochloride
Also Known As: 1,2,3-Benzenetriol, 4-(3-methyl-7H-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazin-6-yl)-, monohydrochloride, (4E)-2,3-dihydroxy-4-(3-methyl-5H-[1,2,4]triazolo[3,4-b][1,3, 4-(3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)benzene-1,2,3-triol, (4E)-2,3-dihydroxy-4-(3-methyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ylidene)cyclohexa-2,5-dien-1-one hydrochloride, 1,2,3-Benzenetriol, 4-(3-methyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-6-yl)-, hydrochloride (1:1)
| Molecular Formula | C11H11ClN4O3S |
|---|---|
| Molecular Weight | 314.02 g/mol |
| LogP | 1.48322 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 314.02405 |
| Heavy Atoms | 20 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 69560-92-5 |
|---|---|
| SMILES | CC1=NN=C2N1N=C(CS2)C3=C(C(=C(C=C3)O)O)O.Cl |
| InChIKey | GMQXWRCXHDTGII-UHFFFAOYSA-N |
Product Overview
1,2,3-Benzenetriol, 4-(3-methyl-7H-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazin-6-yl)-, monohydrochloride (CAS 69560-92-5), with molecular formula C11H11ClN4O3S and molecular weight 314.02 g/mol. IUPAC: 4-(3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)benzene-1,2,3-triol;hydrochloride.
Chemical Property Profile of 1,2,3-Benzenetriol, 4-(3-methyl-7H-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazin-6-yl)-, monohydrochloride
Property Insights of 1,2,3-Benzenetriol, 4-(3-methyl-7H-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazin-6-yl)-, monohydrochloride
The XLogP value of 1.48322 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3-Benzenetriol, 4-(3-methyl-7H-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazin-6-yl)-, monohydrochloride. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3-Benzenetriol, 4-(3-methyl-7H-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazin-6-yl)-, monohydrochloride. Following Lipinski's Rule of Five, 1,2,3-Benzenetriol, 4-(3-methyl-7H-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazin-6-yl)-, monohydrochloride has 4 hydrogen bond donor(s) and 7 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 1,2,3-Benzenetriol, 4-(3-methyl-7H-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazin-6-yl)-, monohydrochloride?
The CAS number of 1,2,3-Benzenetriol, 4-(3-methyl-7H-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazin-6-yl)-, monohydrochloride is 69560-92-5.
What is the molecular formula of 1,2,3-Benzenetriol, 4-(3-methyl-7H-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazin-6-yl)-, monohydrochloride?
The molecular formula of 1,2,3-Benzenetriol, 4-(3-methyl-7H-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazin-6-yl)-, monohydrochloride is C11H11ClN4O3S.
What is the molecular weight of 1,2,3-Benzenetriol, 4-(3-methyl-7H-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazin-6-yl)-, monohydrochloride?
The molecular weight of 1,2,3-Benzenetriol, 4-(3-methyl-7H-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazin-6-yl)-, monohydrochloride is 314.02 g/mol.
Where can I buy 1,2,3-Benzenetriol, 4-(3-methyl-7H-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazin-6-yl)-, monohydrochloride?
You can request a quote for 1,2,3-Benzenetriol, 4-(3-methyl-7H-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazin-6-yl)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Benzenetriol, 4-(3-methyl-7H-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazin-6-yl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Benzenetriol, 4-(3-methyl-7H-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazin-6-yl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.