![4-(6-Ethoxy-3,4,5,3a,9b-pentahydrocyclopenta[1,2-c]quinolin-4-yl)benzoic acid structure](/static/products/956/956189-58-5.png)
4-(6-Ethoxy-3,4,5,3a,9b-pentahydrocyclopenta[1,2-c]quinolin-4-yl)benzoic acid
TL;DR: 4-(6-Ethoxy-3,4,5,3a,9b-pentahydrocyclopenta[1,2-c]quinolin-4-yl)benzoic acid (CAS 956189-58-5) is a chemical compound with molecular formula C21H21NO3 and molecular weight 335.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(6-ethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)benzoic acid
Also Known As: LIN28 inhibitor LI71, BAS 02002222, 4-((3aR,4S,9bS)-6-Ethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)benzoic acid, 4-((3aS,4R,9bR)-6-Ethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)benzoic acid, 4-(6-ethoxy-3,4,5,3a,9b-pentahydrocyclopenta[1,2-c]quinolin-4-yl)benzoic acid
| Molecular Formula | C21H21NO3 |
|---|---|
| Molecular Weight | 335.15 g/mol |
| LogP | 4.61 |
| Topological Polar Surface Area | 58.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.15213 |
| Heavy Atoms | 25 |
| Complexity | 825.53485 |
Chemical Identifiers
| CAS Number | 956189-58-5 |
|---|---|
| SMILES | CCOC1=CC=CC2=C1NC(C3C2C=CC3)C4=CC=C(C=C4)C(=O)O |
Product Overview
4-(6-Ethoxy-3,4,5,3a,9b-pentahydrocyclopenta[1,2-c]quinolin-4-yl)benzoic acid (CAS 956189-58-5), with molecular formula C21H21NO3 and molecular weight 335.15 g/mol. IUPAC: 4-(6-ethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)benzoic acid.
Chemical Property Profile of 4-(6-Ethoxy-3,4,5,3a,9b-pentahydrocyclopenta[1,2-c]quinolin-4-yl)benzoic acid
Property Insights of 4-(6-Ethoxy-3,4,5,3a,9b-pentahydrocyclopenta[1,2-c]quinolin-4-yl)benzoic acid
The XLogP value of 4.61 indicates that 4-(6-Ethoxy-3,4,5,3a,9b-pentahydrocyclopenta[1,2-c]quinolin-4-yl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.56 Ų, 4-(6-Ethoxy-3,4,5,3a,9b-pentahydrocyclopenta[1,2-c]quinolin-4-yl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(6-Ethoxy-3,4,5,3a,9b-pentahydrocyclopenta[1,2-c]quinolin-4-yl)benzoic acid has 2 hydrogen bond donor(s) and 3 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 4-(6-Ethoxy-3,4,5,3a,9b-pentahydrocyclopenta[1,2-c]quinolin-4-yl)benzoic acid?
The CAS number of 4-(6-Ethoxy-3,4,5,3a,9b-pentahydrocyclopenta[1,2-c]quinolin-4-yl)benzoic acid is 956189-58-5.
What is the molecular formula of 4-(6-Ethoxy-3,4,5,3a,9b-pentahydrocyclopenta[1,2-c]quinolin-4-yl)benzoic acid?
The molecular formula of 4-(6-Ethoxy-3,4,5,3a,9b-pentahydrocyclopenta[1,2-c]quinolin-4-yl)benzoic acid is C21H21NO3.
What is the molecular weight of 4-(6-Ethoxy-3,4,5,3a,9b-pentahydrocyclopenta[1,2-c]quinolin-4-yl)benzoic acid?
The molecular weight of 4-(6-Ethoxy-3,4,5,3a,9b-pentahydrocyclopenta[1,2-c]quinolin-4-yl)benzoic acid is 335.15 g/mol.
Where can I buy 4-(6-Ethoxy-3,4,5,3a,9b-pentahydrocyclopenta[1,2-c]quinolin-4-yl)benzoic acid?
You can request a quote for 4-(6-Ethoxy-3,4,5,3a,9b-pentahydrocyclopenta[1,2-c]quinolin-4-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(6-Ethoxy-3,4,5,3a,9b-pentahydrocyclopenta[1,2-c]quinolin-4-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(6-Ethoxy-3,4,5,3a,9b-pentahydrocyclopenta[1,2-c]quinolin-4-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.