![3-[[[4-Cyclohexyl-5-(2-thienylmethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4(3H)-one structure](/static/products/852/852932-32-2.png)
3-[[[4-Cyclohexyl-5-(2-thienylmethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4(3H)-one
TL;DR: 3-[[[4-Cyclohexyl-5-(2-thienylmethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4(3H)-one (CAS 852932-32-2) is a chemical compound with molecular formula C21H22N6OS2 and molecular weight 438.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one
Also Known As: 3-[[[4-Cyclohexyl-5-(2-thienylmethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4(3H)-one, 3-[({4-Cyclohexyl-5-[(thiophen-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-1,2,3-benzotriazin-4(3H)-one, 3-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one
| Molecular Formula | C21H22N6OS2 |
|---|---|
| Molecular Weight | 438.13 g/mol |
| LogP | 4.2903 |
| Topological Polar Surface Area | 78.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.12964 |
| Heavy Atoms | 30 |
| Complexity | 1193.9113 |
Chemical Identifiers
| CAS Number | 852932-32-2 |
|---|---|
| SMILES | C1CCC(CC1)N2C(=NN=C2SCN3C(=O)C4=CC=CC=C4N=N3)CC5=CC=CS5 |
Product Overview
3-[[[4-Cyclohexyl-5-(2-thienylmethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4(3H)-one (CAS 852932-32-2), with molecular formula C21H22N6OS2 and molecular weight 438.13 g/mol. IUPAC: 3-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one.
Chemical Property Profile of 3-[[[4-Cyclohexyl-5-(2-thienylmethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4(3H)-one
Property Insights of 3-[[[4-Cyclohexyl-5-(2-thienylmethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4(3H)-one
The XLogP value of 4.2903 indicates that 3-[[[4-Cyclohexyl-5-(2-thienylmethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[[[4-Cyclohexyl-5-(2-thienylmethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4(3H)-one. Following Lipinski's Rule of Five, 3-[[[4-Cyclohexyl-5-(2-thienylmethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4(3H)-one has 0 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 3-[[[4-Cyclohexyl-5-(2-thienylmethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4(3H)-one?
The CAS number of 3-[[[4-Cyclohexyl-5-(2-thienylmethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4(3H)-one is 852932-32-2.
What is the molecular formula of 3-[[[4-Cyclohexyl-5-(2-thienylmethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4(3H)-one?
The molecular formula of 3-[[[4-Cyclohexyl-5-(2-thienylmethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4(3H)-one is C21H22N6OS2.
What is the molecular weight of 3-[[[4-Cyclohexyl-5-(2-thienylmethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4(3H)-one?
The molecular weight of 3-[[[4-Cyclohexyl-5-(2-thienylmethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4(3H)-one is 438.13 g/mol.
Where can I buy 3-[[[4-Cyclohexyl-5-(2-thienylmethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4(3H)-one?
You can request a quote for 3-[[[4-Cyclohexyl-5-(2-thienylmethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[[[4-Cyclohexyl-5-(2-thienylmethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[[[4-Cyclohexyl-5-(2-thienylmethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.