RefChem:1084884
TL;DR: RefChem:1084884 (CAS 52535-69-0) is a chemical compound with molecular formula C19H21NO3S and molecular weight 343.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00609009, ETHYL 2-(2-PHENYLACETAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, ethyl 2-[(phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, 5-18-12-00221 (Beilstein Handbook Reference), Cyclohexanol,1-((6-methyl-3-pyridyl)ethynyl)
| Molecular Formula | C19H21NO3S |
|---|---|
| Molecular Weight | 343.12 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 343.1242 |
| Heavy Atoms | 24 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 52535-69-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC3=CC=CC=C3 |
| InChIKey | ANKZPSQIMCYPIC-UHFFFAOYSA-N |
Product Overview
RefChem:1084884 (CAS 52535-69-0), with molecular formula C19H21NO3S and molecular weight 343.12 g/mol. IUPAC: ethyl 2-[(2-phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of RefChem:1084884
Property Insights of RefChem:1084884
The XLogP value of 4.7 indicates that RefChem:1084884 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1084884. Following Lipinski's Rule of Five, RefChem:1084884 has 1 hydrogen bond donor(s) and 4 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:1084884?
The CAS number of RefChem:1084884 is 52535-69-0.
What is the molecular formula of RefChem:1084884?
The molecular formula of RefChem:1084884 is C19H21NO3S.
What is the molecular weight of RefChem:1084884?
The molecular weight of RefChem:1084884 is 343.12 g/mol.
Where can I buy RefChem:1084884?
You can request a quote for RefChem:1084884 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1084884?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1084884 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.