![3-(Benzotriazol-1-ylmethyl)-6-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole structure](/static/products/1225/122503-12-2.webp)
3-(Benzotriazol-1-ylmethyl)-6-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
TL;DR: 3-(Benzotriazol-1-ylmethyl)-6-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 122503-12-2) is a chemical compound with molecular formula C17H13N7S and molecular weight 347.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzotriazol-1-ylmethyl)-6-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: AO-365/43113308, 3-(benzotriazol-1-ylmethyl)-6-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 1-[(6-benzyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methyl]-1H-1,2,3-benzotriazole, 1-[(6-benzyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methyl]-1H-benzotriazole, 3-(1-benzotriazolylmethyl)-6-(phenylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C17H13N7S |
|---|---|
| Molecular Weight | 347.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.0953 |
| Heavy Atoms | 25 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 122503-12-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=NN3C(=NN=C3S2)CN4C5=CC=CC=C5N=N4 |
| InChIKey | MNNKRGMSLHQOQF-UHFFFAOYSA-N |
Product Overview
3-(Benzotriazol-1-ylmethyl)-6-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 122503-12-2), with molecular formula C17H13N7S and molecular weight 347.10 g/mol. IUPAC: 3-(benzotriazol-1-ylmethyl)-6-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of 3-(Benzotriazol-1-ylmethyl)-6-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Property Insights of 3-(Benzotriazol-1-ylmethyl)-6-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
The XLogP value of 3.0 indicates that 3-(Benzotriazol-1-ylmethyl)-6-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Benzotriazol-1-ylmethyl)-6-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole. Following Lipinski's Rule of Five, 3-(Benzotriazol-1-ylmethyl)-6-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has 0 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 3-(Benzotriazol-1-ylmethyl)-6-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The CAS number of 3-(Benzotriazol-1-ylmethyl)-6-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 122503-12-2.
What is the molecular formula of 3-(Benzotriazol-1-ylmethyl)-6-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular formula of 3-(Benzotriazol-1-ylmethyl)-6-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is C17H13N7S.
What is the molecular weight of 3-(Benzotriazol-1-ylmethyl)-6-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular weight of 3-(Benzotriazol-1-ylmethyl)-6-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 347.10 g/mol.
Where can I buy 3-(Benzotriazol-1-ylmethyl)-6-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
You can request a quote for 3-(Benzotriazol-1-ylmethyl)-6-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Benzotriazol-1-ylmethyl)-6-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(Benzotriazol-1-ylmethyl)-6-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.