![ethyl 4-[4-(2-thienylcarbonyl)-1H-1,2,3-triazol-1-yl]benzenecarboxylate structure](/static/products/4778/477847-86-2.webp)
ethyl 4-[4-(2-thienylcarbonyl)-1H-1,2,3-triazol-1-yl]benzenecarboxylate
TL;DR: ethyl 4-[4-(2-thienylcarbonyl)-1H-1,2,3-triazol-1-yl]benzenecarboxylate (CAS 477847-86-2) is a chemical compound with molecular formula C16H13N3O3S and molecular weight 327.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-(thiophene-2-carbonyl)triazol-1-yl]benzoate
Also Known As: ethyl 4-[4-(2-thienylcarbonyl)-1H-1,2,3-triazol-1-yl]benzenecarboxylate, ethyl 4-[4-(thiophene-2-carbonyl)triazol-1-yl]benzoate, ethyl 4-[4-(thiophene-2-carbonyl)-1H-1,2,3-triazol-1-yl]benzoate, 10P-715, ethyl 4-[4-(thiophene-2-carbonyl)-1,2,3-triazol-1-yl]benzoate
| Molecular Formula | C16H13N3O3S |
|---|---|
| Molecular Weight | 327.07 g/mol |
| LogP | 2.7365 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.06775 |
| Heavy Atoms | 23 |
| Complexity | 822.6447 |
Chemical Identifiers
| CAS Number | 477847-86-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C=C(N=N2)C(=O)C3=CC=CS3 |
Product Overview
ethyl 4-[4-(2-thienylcarbonyl)-1H-1,2,3-triazol-1-yl]benzenecarboxylate (CAS 477847-86-2), with molecular formula C16H13N3O3S and molecular weight 327.07 g/mol. IUPAC: ethyl 4-[4-(thiophene-2-carbonyl)triazol-1-yl]benzoate.
Chemical Property Profile of ethyl 4-[4-(2-thienylcarbonyl)-1H-1,2,3-triazol-1-yl]benzenecarboxylate
Property Insights of ethyl 4-[4-(2-thienylcarbonyl)-1H-1,2,3-triazol-1-yl]benzenecarboxylate
The XLogP value of 2.7365 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-[4-(2-thienylcarbonyl)-1H-1,2,3-triazol-1-yl]benzenecarboxylate. The TPSA of 74.08 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[4-(2-thienylcarbonyl)-1H-1,2,3-triazol-1-yl]benzenecarboxylate. Following Lipinski's Rule of Five, ethyl 4-[4-(2-thienylcarbonyl)-1H-1,2,3-triazol-1-yl]benzenecarboxylate 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 ethyl 4-[4-(2-thienylcarbonyl)-1H-1,2,3-triazol-1-yl]benzenecarboxylate?
The CAS number of ethyl 4-[4-(2-thienylcarbonyl)-1H-1,2,3-triazol-1-yl]benzenecarboxylate is 477847-86-2.
What is the molecular formula of ethyl 4-[4-(2-thienylcarbonyl)-1H-1,2,3-triazol-1-yl]benzenecarboxylate?
The molecular formula of ethyl 4-[4-(2-thienylcarbonyl)-1H-1,2,3-triazol-1-yl]benzenecarboxylate is C16H13N3O3S.
What is the molecular weight of ethyl 4-[4-(2-thienylcarbonyl)-1H-1,2,3-triazol-1-yl]benzenecarboxylate?
The molecular weight of ethyl 4-[4-(2-thienylcarbonyl)-1H-1,2,3-triazol-1-yl]benzenecarboxylate is 327.07 g/mol.
Where can I buy ethyl 4-[4-(2-thienylcarbonyl)-1H-1,2,3-triazol-1-yl]benzenecarboxylate?
You can request a quote for ethyl 4-[4-(2-thienylcarbonyl)-1H-1,2,3-triazol-1-yl]benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-[4-(2-thienylcarbonyl)-1H-1,2,3-triazol-1-yl]benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[4-(2-thienylcarbonyl)-1H-1,2,3-triazol-1-yl]benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.