ethyl 2-(1H-tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: ethyl 2-(1H-tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 692275-81-3) is a chemical compound with molecular formula C12H14N4O2S and molecular weight 278.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-(1H-tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, J2.559.190I, VU0043195-3, AO-080/11286185, ethyl 2-(1H-1,2,3,4-tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C12H14N4O2S |
|---|---|
| Molecular Weight | 278.08 g/mol |
| LogP | 1.7793 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.08374 |
| Heavy Atoms | 19 |
| Complexity | 591.1463 |
Chemical Identifiers
| CAS Number | 692275-81-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)N3C=NN=N3 |
Product Overview
ethyl 2-(1H-tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 692275-81-3), with molecular formula C12H14N4O2S and molecular weight 278.08 g/mol. IUPAC: ethyl 2-(tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-(1H-tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of ethyl 2-(1H-tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 1.7793 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(1H-tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(1H-tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(1H-tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate 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 2-(1H-tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of ethyl 2-(1H-tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 692275-81-3.
What is the molecular formula of ethyl 2-(1H-tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of ethyl 2-(1H-tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C12H14N4O2S.
What is the molecular weight of ethyl 2-(1H-tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of ethyl 2-(1H-tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 278.08 g/mol.
Where can I buy ethyl 2-(1H-tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for ethyl 2-(1H-tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(1H-tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(1H-tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.