![4-[(3aS,4R,9bR)-6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid structure](/static/products/1217/1217682-79-5.webp)
4-[(3aS,4R,9bR)-6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid
TL;DR: 4-[(3aS,4R,9bR)-6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid (CAS 1217682-79-5) is a chemical compound with molecular formula C21H21NO2 and molecular weight 319.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3aS,4R,9bR)-6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid
Also Known As: 4-[(3aS,4R,9bR)-6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid, BAS 02002214, 4-[(3AS,4R,9BR)-6,7-DIMETHYL-3H,3AH,4H,5H,9BH-CYCLOPENTA[C]QUINOLIN-4-YL]BENZOIC ACID
| Molecular Formula | C21H21NO2 |
|---|---|
| Molecular Weight | 319.16 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.15723 |
| Heavy Atoms | 24 |
| Complexity | 508.0 |
Chemical Identifiers
| CAS Number | 1217682-79-5 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)[C@@H]3C=CC[C@@H]3[C@@H](N2)C4=CC=C(C=C4)C(=O)O)C |
| InChIKey | PTWQWLFQYBEVEG-UWVAXJGDSA-N |
Product Overview
4-[(3aS,4R,9bR)-6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid (CAS 1217682-79-5), with molecular formula C21H21NO2 and molecular weight 319.16 g/mol. IUPAC: 4-[(3aS,4R,9bR)-6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid.
Chemical Property Profile of 4-[(3aS,4R,9bR)-6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid
Property Insights of 4-[(3aS,4R,9bR)-6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid
The XLogP value of 4.6 indicates that 4-[(3aS,4R,9bR)-6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[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 49.3 Ų, 4-[(3aS,4R,9bR)-6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(3aS,4R,9bR)-6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[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-[(3aS,4R,9bR)-6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid?
The CAS number of 4-[(3aS,4R,9bR)-6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid is 1217682-79-5.
What is the molecular formula of 4-[(3aS,4R,9bR)-6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid?
The molecular formula of 4-[(3aS,4R,9bR)-6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid is C21H21NO2.
What is the molecular weight of 4-[(3aS,4R,9bR)-6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid?
The molecular weight of 4-[(3aS,4R,9bR)-6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid is 319.16 g/mol.
Where can I buy 4-[(3aS,4R,9bR)-6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid?
You can request a quote for 4-[(3aS,4R,9bR)-6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[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-[(3aS,4R,9bR)-6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3aS,4R,9bR)-6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.