4H-Cyclopenta(b)thiophene-2-carboxylic acid, 5,6-dihydro-3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, ethyl ester
TL;DR: 4H-Cyclopenta(b)thiophene-2-carboxylic acid, 5,6-dihydro-3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, ethyl ester (CAS 85462-71-1) is a chemical compound with molecular formula C16H25NO4S and molecular weight 327.15 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]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
Also Known As: 4H-Cyclopenta(b)thiophene-2-carboxylic acid, 5,6-dihydro-3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, ethyl ester, ethyl 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate, 4H-Cyclopenta(b)thiophene-2-carboxylic acid,5,6-dihydro-3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-,ethyl ester, Ethyl 3-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate, BRN 6067575
| Molecular Formula | C16H25NO4S |
|---|---|
| Molecular Weight | 327.15 g/mol |
| LogP | 2.1512 |
| Topological Polar Surface Area | 67.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 327.15042 |
| Heavy Atoms | 22 |
| Complexity | 512.48926 |
Chemical Identifiers
| CAS Number | 85462-71-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(S1)CCC2)OCC(CNC(C)C)O |
Product Overview
4H-Cyclopenta(b)thiophene-2-carboxylic acid, 5,6-dihydro-3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, ethyl ester (CAS 85462-71-1), with molecular formula C16H25NO4S and molecular weight 327.15 g/mol. IUPAC: ethyl 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate.
Chemical Property Profile of 4H-Cyclopenta(b)thiophene-2-carboxylic acid, 5,6-dihydro-3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, ethyl ester
Property Insights of 4H-Cyclopenta(b)thiophene-2-carboxylic acid, 5,6-dihydro-3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, ethyl ester
The XLogP value of 2.1512 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-Cyclopenta(b)thiophene-2-carboxylic acid, 5,6-dihydro-3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, ethyl ester. The TPSA of 67.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-Cyclopenta(b)thiophene-2-carboxylic acid, 5,6-dihydro-3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, ethyl ester. Following Lipinski's Rule of Five, 4H-Cyclopenta(b)thiophene-2-carboxylic acid, 5,6-dihydro-3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, ethyl ester 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 4H-Cyclopenta(b)thiophene-2-carboxylic acid, 5,6-dihydro-3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, ethyl ester?
The CAS number of 4H-Cyclopenta(b)thiophene-2-carboxylic acid, 5,6-dihydro-3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, ethyl ester is 85462-71-1.
What is the molecular formula of 4H-Cyclopenta(b)thiophene-2-carboxylic acid, 5,6-dihydro-3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, ethyl ester?
The molecular formula of 4H-Cyclopenta(b)thiophene-2-carboxylic acid, 5,6-dihydro-3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, ethyl ester is C16H25NO4S.
What is the molecular weight of 4H-Cyclopenta(b)thiophene-2-carboxylic acid, 5,6-dihydro-3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, ethyl ester?
The molecular weight of 4H-Cyclopenta(b)thiophene-2-carboxylic acid, 5,6-dihydro-3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, ethyl ester is 327.15 g/mol.
Where can I buy 4H-Cyclopenta(b)thiophene-2-carboxylic acid, 5,6-dihydro-3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, ethyl ester?
You can request a quote for 4H-Cyclopenta(b)thiophene-2-carboxylic acid, 5,6-dihydro-3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-Cyclopenta(b)thiophene-2-carboxylic acid, 5,6-dihydro-3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4H-Cyclopenta(b)thiophene-2-carboxylic acid, 5,6-dihydro-3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.