RefChem:1084885
TL;DR: RefChem:1084885 (CAS 76981-89-0) is a chemical compound with molecular formula C19H28N2O3S and molecular weight 364.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-methyl-2-[(2-piperidin-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-2-(2-piperidinoacetamido)-, ethyl ester, 2-[(Piperidinoacetyl)amino]-4,5,6,7-tetrahydro-5-methylbenzo[b]thiophene-3-carboxylic acid ethyl ester, Ethyl 4,5,6,7-tetrahydro-5-methyl-2-((2-(1-piperidinyl)acetyl)amino)benzo(b)thiophene-3-carboxylate, ethyl 5-methyl-2-[(2-piperidin-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 5-methyl-2-[2-(piperidin-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C19H28N2O3S |
|---|---|
| Molecular Weight | 364.18 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 86.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 364.18207 |
| Heavy Atoms | 25 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 76981-89-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CC(CC2)C)NC(=O)CN3CCCCC3 |
| InChIKey | USJYYZMMBGDYKJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:1084885 (CAS 76981-89-0), with molecular formula C19H28N2O3S and molecular weight 364.18 g/mol. IUPAC: ethyl 5-methyl-2-[(2-piperidin-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of RefChem:1084885
Property Insights of RefChem:1084885
The XLogP value of 4.3 indicates that RefChem:1084885 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1084885. Following Lipinski's Rule of Five, RefChem:1084885 has 1 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 RefChem:1084885?
The CAS number of RefChem:1084885 is 76981-89-0.
What is the molecular formula of RefChem:1084885?
The molecular formula of RefChem:1084885 is C19H28N2O3S.
What is the molecular weight of RefChem:1084885?
The molecular weight of RefChem:1084885 is 364.18 g/mol.
Where can I buy RefChem:1084885?
You can request a quote for RefChem:1084885 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1084885?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1084885 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.