4H-Cyclopenta(b)thiophene-2-carboxylic acid, 5,6-dihydro-3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, hydrochloride
TL;DR: 4H-Cyclopenta(b)thiophene-2-carboxylic acid, 5,6-dihydro-3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, hydrochloride (CAS 85462-73-3) is a chemical compound with molecular formula C14H22ClNO4S and molecular weight 335.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid;hydrochloride
Also Known As: 4H-Cyclopenta(b)thiophene-2-carboxylic acid, 5,6-dihydro-3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, hydrochloride, 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid hydrochloride, 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid,hydrochloride, 3-{2-Hydroxy-3-[(propan-2-yl)amino]propoxy}-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid--hydrogen chloride (1/1), 4H-Cyclopenta(b)thiophene-2-carboxylic acid,5,6-dihydro-3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-,ethyl ester
| Molecular Formula | C14H22ClNO4S |
|---|---|
| Molecular Weight | 335.10 g/mol |
| LogP | 2.0945 |
| Topological Polar Surface Area | 78.79 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 335.0958 |
| Heavy Atoms | 21 |
| Complexity | 489.56372 |
Chemical Identifiers
| CAS Number | 85462-73-3 |
|---|---|
| SMILES | CC(C)NCC(COC1=C(SC2=C1CCC2)C(=O)O)O.Cl |
Product Overview
4H-Cyclopenta(b)thiophene-2-carboxylic acid, 5,6-dihydro-3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, hydrochloride (CAS 85462-73-3), with molecular formula C14H22ClNO4S and molecular weight 335.10 g/mol. IUPAC: 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid;hydrochloride.
Chemical Property Profile of 4H-Cyclopenta(b)thiophene-2-carboxylic acid, 5,6-dihydro-3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, hydrochloride
Property Insights of 4H-Cyclopenta(b)thiophene-2-carboxylic acid, 5,6-dihydro-3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, hydrochloride
The XLogP value of 2.0945 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)-, hydrochloride. The TPSA of 78.79 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)-, hydrochloride. Following Lipinski's Rule of Five, 4H-Cyclopenta(b)thiophene-2-carboxylic acid, 5,6-dihydro-3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, hydrochloride has 3 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 4H-Cyclopenta(b)thiophene-2-carboxylic acid, 5,6-dihydro-3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, hydrochloride?
The CAS number of 4H-Cyclopenta(b)thiophene-2-carboxylic acid, 5,6-dihydro-3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, hydrochloride is 85462-73-3.
What is the molecular formula of 4H-Cyclopenta(b)thiophene-2-carboxylic acid, 5,6-dihydro-3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, hydrochloride?
The molecular formula of 4H-Cyclopenta(b)thiophene-2-carboxylic acid, 5,6-dihydro-3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, hydrochloride is C14H22ClNO4S.
What is the molecular weight of 4H-Cyclopenta(b)thiophene-2-carboxylic acid, 5,6-dihydro-3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, hydrochloride?
The molecular weight of 4H-Cyclopenta(b)thiophene-2-carboxylic acid, 5,6-dihydro-3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, hydrochloride is 335.10 g/mol.
Where can I buy 4H-Cyclopenta(b)thiophene-2-carboxylic acid, 5,6-dihydro-3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, hydrochloride?
You can request a quote for 4H-Cyclopenta(b)thiophene-2-carboxylic acid, 5,6-dihydro-3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, hydrochloride 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)-, hydrochloride?
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)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.