(1-phenyl-1H-1,2,3-triazol-4-yl)methyl 3-methylbutanoate
TL;DR: (1-phenyl-1H-1,2,3-triazol-4-yl)methyl 3-methylbutanoate (CAS 338757-33-8) is a chemical compound with molecular formula C14H17N3O2 and molecular weight 259.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-phenyltriazol-4-yl)methyl 3-methylbutanoate
Also Known As: (1-phenyl-1H-1,2,3-triazol-4-yl)methyl 3-methylbutanoate, (1-phenyltriazol-4-yl)methyl 3-methylbutanoate, (1-phenyl-1H-1,2,3-triazol-4-yl)methyl3-methylbutanoate
| Molecular Formula | C14H17N3O2 |
|---|---|
| Molecular Weight | 259.13 g/mol |
| LogP | 2.3566 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 259.13208 |
| Heavy Atoms | 19 |
| Complexity | 534.6339 |
Chemical Identifiers
| CAS Number | 338757-33-8 |
|---|---|
| SMILES | CC(C)CC(=O)OCC1=CN(N=N1)C2=CC=CC=C2 |
Product Overview
(1-phenyl-1H-1,2,3-triazol-4-yl)methyl 3-methylbutanoate (CAS 338757-33-8), with molecular formula C14H17N3O2 and molecular weight 259.13 g/mol. IUPAC: (1-phenyltriazol-4-yl)methyl 3-methylbutanoate.
Chemical Property Profile of (1-phenyl-1H-1,2,3-triazol-4-yl)methyl 3-methylbutanoate
Property Insights of (1-phenyl-1H-1,2,3-triazol-4-yl)methyl 3-methylbutanoate
The XLogP value of 2.3566 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-phenyl-1H-1,2,3-triazol-4-yl)methyl 3-methylbutanoate. With a topological polar surface area (TPSA) of 57.01 Ų, (1-phenyl-1H-1,2,3-triazol-4-yl)methyl 3-methylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-phenyl-1H-1,2,3-triazol-4-yl)methyl 3-methylbutanoate has 0 hydrogen bond donor(s) and 4 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-phenyl-1H-1,2,3-triazol-4-yl)methyl 3-methylbutanoate?
The CAS number of (1-phenyl-1H-1,2,3-triazol-4-yl)methyl 3-methylbutanoate is 338757-33-8.
What is the molecular formula of (1-phenyl-1H-1,2,3-triazol-4-yl)methyl 3-methylbutanoate?
The molecular formula of (1-phenyl-1H-1,2,3-triazol-4-yl)methyl 3-methylbutanoate is C14H17N3O2.
What is the molecular weight of (1-phenyl-1H-1,2,3-triazol-4-yl)methyl 3-methylbutanoate?
The molecular weight of (1-phenyl-1H-1,2,3-triazol-4-yl)methyl 3-methylbutanoate is 259.13 g/mol.
Where can I buy (1-phenyl-1H-1,2,3-triazol-4-yl)methyl 3-methylbutanoate?
You can request a quote for (1-phenyl-1H-1,2,3-triazol-4-yl)methyl 3-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-phenyl-1H-1,2,3-triazol-4-yl)methyl 3-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for (1-phenyl-1H-1,2,3-triazol-4-yl)methyl 3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.