RefChem:326206
TL;DR: RefChem:326206 (CAS 85462-75-5) is a chemical compound with molecular formula C17H27NO4S and molecular weight 341.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
Also Known As: Benzo(b)thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, ethyl ester, ethyl 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate, Ethyl 3-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate, BRN 6068607, RefChem:326206
| Molecular Formula | C17H27NO4S |
|---|---|
| Molecular Weight | 341.17 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 96.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 341.16608 |
| Heavy Atoms | 23 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 85462-75-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(S1)CCCC2)OCC(CNC(C)C)O |
| InChIKey | YAGCAGDJBAFDJR-UHFFFAOYSA-N |
Product Overview
RefChem:326206 (CAS 85462-75-5), with molecular formula C17H27NO4S and molecular weight 341.17 g/mol. IUPAC: ethyl 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate.
Chemical Property Profile of RefChem:326206
Property Insights of RefChem:326206
The XLogP value of 3.1 indicates that RefChem:326206 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:326206. Following Lipinski's Rule of Five, RefChem:326206 has 2 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 RefChem:326206?
The CAS number of RefChem:326206 is 85462-75-5.
What is the molecular formula of RefChem:326206?
The molecular formula of RefChem:326206 is C17H27NO4S.
What is the molecular weight of RefChem:326206?
The molecular weight of RefChem:326206 is 341.17 g/mol.
Where can I buy RefChem:326206?
You can request a quote for RefChem:326206 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:326206?
Yes, KEHONG BIO provides custom synthesis services for RefChem:326206 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.