![methyl 2-[[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/876/876456-71-2.png)
methyl 2-[[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: methyl 2-[[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 876456-71-2) is a chemical compound with molecular formula C16H21N5O3S2 and molecular weight 395.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: methyl 2-[[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C16H21N5O3S2 |
|---|---|
| Molecular Weight | 395.11 g/mol |
| LogP | 2.3379 |
| Topological Polar Surface Area | 112.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.10858 |
| Heavy Atoms | 26 |
| Complexity | 830.2071 |
Chemical Identifiers
| CAS Number | 876456-71-2 |
|---|---|
| SMILES | CCSC1=NN=C(N1CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)N |
Product Overview
methyl 2-[[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 876456-71-2), with molecular formula C16H21N5O3S2 and molecular weight 395.11 g/mol. IUPAC: methyl 2-[[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of methyl 2-[[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of methyl 2-[[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 2.3379 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-[[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. The TPSA of 112.13 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-[[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 2 hydrogen bond donor(s) and 8 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 methyl 2-[[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of methyl 2-[[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 876456-71-2.
What is the molecular formula of methyl 2-[[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of methyl 2-[[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C16H21N5O3S2.
What is the molecular weight of methyl 2-[[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of methyl 2-[[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 395.11 g/mol.
Where can I buy methyl 2-[[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for methyl 2-[[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]-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 methyl 2-[[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.