2,3,4-trihydroxy-4-(2-phenyl-2H-1,2,3-triazol-4-yl)butyl 4-methylbenzenesulfonate
TL;DR: 2,3,4-trihydroxy-4-(2-phenyl-2H-1,2,3-triazol-4-yl)butyl 4-methylbenzenesulfonate (CAS 289697-84-3) is a chemical compound with molecular formula C19H21N3O6S and molecular weight 419.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,3,4-trihydroxy-4-(2-phenyltriazol-4-yl)butyl] 4-methylbenzenesulfonate
Also Known As: 2,3,4-trihydroxy-4-(2-phenyl-2H-1,2,3-triazol-4-yl)butyl 4-methylbenzenesulfonate, [2,3,4-trihydroxy-4-(2-phenyltriazol-4-yl)butyl] 4-methylbenzenesulfonate, N-BUTYRALDEHYDE2,4-DINITROPHENYLHYDRAZONE, 4-[(4-methylbenzenesulfonyl)oxy]-1-(2-phenyl-2H-1,2,3-triazol-4-yl)butane-1,2,3-triol, [2,3,4-trihydroxy-4-(2-phenyltriazol-4-yl)butyl] 4-methylben
| Molecular Formula | C19H21N3O6S |
|---|---|
| Molecular Weight | 419.12 g/mol |
| LogP | 0.73642 |
| Topological Polar Surface Area | 134.77 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 419.1151 |
| Heavy Atoms | 29 |
| Complexity | 1037.3212 |
Chemical Identifiers
| CAS Number | 289697-84-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC(C(C(C2=NN(N=C2)C3=CC=CC=C3)O)O)O |
Product Overview
2,3,4-trihydroxy-4-(2-phenyl-2H-1,2,3-triazol-4-yl)butyl 4-methylbenzenesulfonate (CAS 289697-84-3), with molecular formula C19H21N3O6S and molecular weight 419.12 g/mol. IUPAC: [2,3,4-trihydroxy-4-(2-phenyltriazol-4-yl)butyl] 4-methylbenzenesulfonate.
Chemical Property Profile of 2,3,4-trihydroxy-4-(2-phenyl-2H-1,2,3-triazol-4-yl)butyl 4-methylbenzenesulfonate
Property Insights of 2,3,4-trihydroxy-4-(2-phenyl-2H-1,2,3-triazol-4-yl)butyl 4-methylbenzenesulfonate
The XLogP value of 0.73642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4-trihydroxy-4-(2-phenyl-2H-1,2,3-triazol-4-yl)butyl 4-methylbenzenesulfonate. The TPSA of 134.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3,4-trihydroxy-4-(2-phenyl-2H-1,2,3-triazol-4-yl)butyl 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, 2,3,4-trihydroxy-4-(2-phenyl-2H-1,2,3-triazol-4-yl)butyl 4-methylbenzenesulfonate has 3 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 2,3,4-trihydroxy-4-(2-phenyl-2H-1,2,3-triazol-4-yl)butyl 4-methylbenzenesulfonate?
The CAS number of 2,3,4-trihydroxy-4-(2-phenyl-2H-1,2,3-triazol-4-yl)butyl 4-methylbenzenesulfonate is 289697-84-3.
What is the molecular formula of 2,3,4-trihydroxy-4-(2-phenyl-2H-1,2,3-triazol-4-yl)butyl 4-methylbenzenesulfonate?
The molecular formula of 2,3,4-trihydroxy-4-(2-phenyl-2H-1,2,3-triazol-4-yl)butyl 4-methylbenzenesulfonate is C19H21N3O6S.
What is the molecular weight of 2,3,4-trihydroxy-4-(2-phenyl-2H-1,2,3-triazol-4-yl)butyl 4-methylbenzenesulfonate?
The molecular weight of 2,3,4-trihydroxy-4-(2-phenyl-2H-1,2,3-triazol-4-yl)butyl 4-methylbenzenesulfonate is 419.12 g/mol.
Where can I buy 2,3,4-trihydroxy-4-(2-phenyl-2H-1,2,3-triazol-4-yl)butyl 4-methylbenzenesulfonate?
You can request a quote for 2,3,4-trihydroxy-4-(2-phenyl-2H-1,2,3-triazol-4-yl)butyl 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4-trihydroxy-4-(2-phenyl-2H-1,2,3-triazol-4-yl)butyl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4-trihydroxy-4-(2-phenyl-2H-1,2,3-triazol-4-yl)butyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.