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Ethyl 5-methyl-7-(2-thienyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
TL;DR: Ethyl 5-methyl-7-(2-thienyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate (CAS 537002-58-7) is a chemical compound with molecular formula C12H13N5O2S and molecular weight 291.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-methyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Also Known As: Ethyl 5-methyl-7-(2-thienyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate, ethyl 5-methyl-7-thiophen-2-yl-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate, ETHYL5-METHYL-7- -4,7-DIHYDROTETRAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLATE, ethyl 5-methyl-7-(2-thienyl)-4,7,8-trihydro-1,2,3,4-tetraazolo[1,5-a]pyrimidin e-6-carboxylate, ETHYL 5-METHYL-7-(THIOPHEN-2-YL)-4H,7H-[1,2,3,4]TETRAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLATE
| Molecular Formula | C12H13N5O2S |
|---|---|
| Molecular Weight | 291.08 g/mol |
| LogP | 1.5866 |
| Topological Polar Surface Area | 81.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.079 |
| Heavy Atoms | 20 |
| Complexity | 661.20544 |
Chemical Identifiers
| CAS Number | 537002-58-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=NN=NN2C1C3=CC=CS3)C |
Product Overview
Ethyl 5-methyl-7-(2-thienyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate (CAS 537002-58-7), with molecular formula C12H13N5O2S and molecular weight 291.08 g/mol. IUPAC: ethyl 5-methyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate.
Chemical Property Profile of Ethyl 5-methyl-7-(2-thienyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Property Insights of Ethyl 5-methyl-7-(2-thienyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
The XLogP value of 1.5866 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-methyl-7-(2-thienyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate. The TPSA of 81.93 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-methyl-7-(2-thienyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-methyl-7-(2-thienyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate has 1 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 Ethyl 5-methyl-7-(2-thienyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate?
The CAS number of Ethyl 5-methyl-7-(2-thienyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate is 537002-58-7.
What is the molecular formula of Ethyl 5-methyl-7-(2-thienyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate?
The molecular formula of Ethyl 5-methyl-7-(2-thienyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate is C12H13N5O2S.
What is the molecular weight of Ethyl 5-methyl-7-(2-thienyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate?
The molecular weight of Ethyl 5-methyl-7-(2-thienyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate is 291.08 g/mol.
Where can I buy Ethyl 5-methyl-7-(2-thienyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate?
You can request a quote for Ethyl 5-methyl-7-(2-thienyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-methyl-7-(2-thienyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-methyl-7-(2-thienyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.