![methyl 5-[(4-tert-butylbenzoyl)amino]-2H-1,2,4-triazole-3-carboxylate structure](/static/products/3266/326618-93-3.webp)
methyl 5-[(4-tert-butylbenzoyl)amino]-2H-1,2,4-triazole-3-carboxylate
TL;DR: methyl 5-[(4-tert-butylbenzoyl)amino]-2H-1,2,4-triazole-3-carboxylate (CAS 326618-93-3) is a chemical compound with molecular formula C15H18N4O3 and molecular weight 302.13788 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-[(4-tert-butylbenzoyl)amino]-1H-1,2,4-triazole-5-carboxylate
Also Known As: methyl 5-[(4-tert-butylbenzoyl)amino]-2H-1,2,4-triazole-3-carboxylate, AB00577675-02, methyl 3-[(4-tert-butylbenzoyl)amino]-1H-1,2,4-triazole-5-carboxylate, Methyl 5-(4-tert-butylbenzamido)-4H-1,2,4-triazole-3-carboxylate, 3-[(4-tert-butylbenzoyl)amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester
Technical Specifications
| Molecular Formula | C15H18N4O3 |
| Molecular Weight | 302.13788 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 97.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.13788 Da |
| Heavy Atoms | 22 |
| Complexity | 414.0 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NNC(=N2)C(=O)OC |
| InChIKey | LVKKWCOINMSBPK-UHFFFAOYSA-N |
Product Description
Applications: methyl 5-[(4-tert-butylbenzoyl)amino]-2H-1,2,4-triazole-3-carboxylate is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
methyl 5-[(4-tert-butylbenzoyl)amino]-2H-1,2,4-triazole-3-carboxylate is a fine chemical identified by CAS number 326618-93-3 and the molecular formula C15H18N4O3 and a molecular weight of 302.14 g/mol. Synonyms include GTPL6553 and methyl 5-[(4-tert-butylbenzoyl)amino]-2H-1,2,4-triazole-3-carboxylate.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of methyl 5-[(4-tert-butylbenzoyl)amino]-2H-1,2,4-triazole-3-carboxylate
Property Insights of methyl 5-[(4-tert-butylbenzoyl)amino]-2H-1,2,4-triazole-3-carboxylate
The XLogP value of 3.0 indicates that methyl 5-[(4-tert-butylbenzoyl)amino]-2H-1,2,4-triazole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-[(4-tert-butylbenzoyl)amino]-2H-1,2,4-triazole-3-carboxylate. Following Lipinski's Rule of Five, methyl 5-[(4-tert-butylbenzoyl)amino]-2H-1,2,4-triazole-3-carboxylate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of methyl 5-[(4-tert-butylbenzoyl)amino]-2H-1,2,4-triazole-3-carboxylate?
The CAS number of methyl 5-[(4-tert-butylbenzoyl)amino]-2H-1,2,4-triazole-3-carboxylate is 326618-93-3.
What is the molecular formula of methyl 5-[(4-tert-butylbenzoyl)amino]-2H-1,2,4-triazole-3-carboxylate?
The molecular formula of methyl 5-[(4-tert-butylbenzoyl)amino]-2H-1,2,4-triazole-3-carboxylate is C15H18N4O3.
What is the molecular weight of methyl 5-[(4-tert-butylbenzoyl)amino]-2H-1,2,4-triazole-3-carboxylate?
The molecular weight of methyl 5-[(4-tert-butylbenzoyl)amino]-2H-1,2,4-triazole-3-carboxylate is 302.13788 g/mol.
What are the applications of methyl 5-[(4-tert-butylbenzoyl)amino]-2H-1,2,4-triazole-3-carboxylate?
methyl 5-[(4-tert-butylbenzoyl)amino]-2H-1,2,4-triazole-3-carboxylate is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with...
Where can I buy methyl 5-[(4-tert-butylbenzoyl)amino]-2H-1,2,4-triazole-3-carboxylate?
You can request a quote for methyl 5-[(4-tert-butylbenzoyl)amino]-2H-1,2,4-triazole-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 5-[(4-tert-butylbenzoyl)amino]-2H-1,2,4-triazole-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for methyl 5-[(4-tert-butylbenzoyl)amino]-2H-1,2,4-triazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.