![[(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate structure](/static/products/876/876691-41-7.png)
[(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
TL;DR: [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate (CAS 876691-41-7) is a chemical compound with molecular formula C19H24N2O3S and molecular weight 360.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
Also Known As: [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate|[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate|EN300-26681467
| Molecular Formula | C19H24N2O3S |
|---|---|
| Molecular Weight | 360.15 g/mol |
| LogP | 3.46858 |
| Topological Polar Surface Area | 70.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.15076 |
| Heavy Atoms | 25 |
| Complexity | 674.51263 |
Chemical Identifiers
| CAS Number | 876691-41-7 |
|---|---|
| SMILES | CN(C(=O)COC(=O)C1=CC2=C(S1)CCCC2)C3(CCCCC3)C#N |
Product Overview
[(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate (CAS 876691-41-7), with molecular formula C19H24N2O3S and molecular weight 360.15 g/mol. IUPAC: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate.
Chemical Property Profile of [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
Property Insights of [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
The XLogP value of 3.46858 indicates that [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.4 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate. Following Lipinski's Rule of Five, [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate has 0 hydrogen bond donor(s) and 5 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 [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate?
The CAS number of [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate is 876691-41-7.
What is the molecular formula of [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate?
The molecular formula of [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate is C19H24N2O3S.
What is the molecular weight of [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate?
The molecular weight of [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate is 360.15 g/mol.
Where can I buy [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate?
You can request a quote for [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.