RefChem:297500
TL;DR: RefChem:297500 (CAS 85462-77-7) 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-[3-(tert-butylamino)-2-hydroxypropoxy]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
Also Known As: 4H-Cyclopenta(b)thiophene-2-carboxylic acid, 5,6-dihydro-3-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-, ethyl ester, ethyl 3-[3-(tert-butylamino)-2-hydroxypropoxy]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate, BRN 6068079, RefChem:297500
| Molecular Formula | C17H27NO4S |
|---|---|
| Molecular Weight | 341.17 g/mol |
| LogP | 2.5413 |
| Topological Polar Surface Area | 67.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 341.16608 |
| Heavy Atoms | 23 |
| Complexity | 547.5236 |
Chemical Identifiers
| CAS Number | 85462-77-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(S1)CCC2)OCC(CNC(C)(C)C)O |
Product Overview
RefChem:297500 (CAS 85462-77-7), with molecular formula C17H27NO4S and molecular weight 341.17 g/mol. IUPAC: ethyl 3-[3-(tert-butylamino)-2-hydroxypropoxy]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate.
Chemical Property Profile of RefChem:297500
Property Insights of RefChem:297500
The XLogP value of 2.5413 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:297500. The TPSA of 67.79 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:297500. Following Lipinski's Rule of Five, RefChem:297500 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:297500?
The CAS number of RefChem:297500 is 85462-77-7.
What is the molecular formula of RefChem:297500?
The molecular formula of RefChem:297500 is C17H27NO4S.
What is the molecular weight of RefChem:297500?
The molecular weight of RefChem:297500 is 341.17 g/mol.
Where can I buy RefChem:297500?
You can request a quote for RefChem:297500 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:297500?
Yes, KEHONG BIO provides custom synthesis services for RefChem:297500 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.