4-(decahydromethyl-3-oxo-1H-cyclopentaquinolinyl)valeric acid
TL;DR: 4-(decahydromethyl-3-oxo-1H-cyclopentaquinolinyl)valeric acid (CAS 29366-71-0) is a chemical compound with molecular formula C18H27NO3 and molecular weight 305.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R)-4-[(6aR,7R,9aS,9bS)-6a-methyl-3-oxo-2,4,6,7,8,9,9a,9b-octahydro-1H-cyclopenta[f]quinolin-7-yl]pentanoic acid
Also Known As: DCQVA, 4-Hydroxy-1-p-tolylmercapto-benzol, 6-(2-Nitrophenyl)-1,3,5-triazine-2,4-diamine, (4R)-4-[(6aR,7R,9aS,9bS)-6a-methyl-3-oxo-2,4,6,7,8,9,9a,9b-octahydro-1H-cyclopenta[f]quinolin-7-yl]pentanoic acid, 4-(Decahydro-6-methyl-3-oxo-cyclopenta(f)quinoline-7-yl)valeric acid
| Molecular Formula | C18H27NO3 |
|---|---|
| Molecular Weight | 305.20 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.1991 |
| Heavy Atoms | 22 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 29366-71-0 |
|---|---|
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC=C3[C@H]2CCC(=O)N3)C |
| InChIKey | YHBFMULEUYRINA-RRLOCTAFSA-N |
Product Overview
4-(decahydromethyl-3-oxo-1H-cyclopentaquinolinyl)valeric acid (CAS 29366-71-0), with molecular formula C18H27NO3 and molecular weight 305.20 g/mol. IUPAC: (4R)-4-[(6aR,7R,9aS,9bS)-6a-methyl-3-oxo-2,4,6,7,8,9,9a,9b-octahydro-1H-cyclopenta[f]quinolin-7-yl]pentanoic acid.
Chemical Property Profile of 4-(decahydromethyl-3-oxo-1H-cyclopentaquinolinyl)valeric acid
Property Insights of 4-(decahydromethyl-3-oxo-1H-cyclopentaquinolinyl)valeric acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(decahydromethyl-3-oxo-1H-cyclopentaquinolinyl)valeric acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(decahydromethyl-3-oxo-1H-cyclopentaquinolinyl)valeric acid. Following Lipinski's Rule of Five, 4-(decahydromethyl-3-oxo-1H-cyclopentaquinolinyl)valeric 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-(decahydromethyl-3-oxo-1H-cyclopentaquinolinyl)valeric acid?
The CAS number of 4-(decahydromethyl-3-oxo-1H-cyclopentaquinolinyl)valeric acid is 29366-71-0.
What is the molecular formula of 4-(decahydromethyl-3-oxo-1H-cyclopentaquinolinyl)valeric acid?
The molecular formula of 4-(decahydromethyl-3-oxo-1H-cyclopentaquinolinyl)valeric acid is C18H27NO3.
What is the molecular weight of 4-(decahydromethyl-3-oxo-1H-cyclopentaquinolinyl)valeric acid?
The molecular weight of 4-(decahydromethyl-3-oxo-1H-cyclopentaquinolinyl)valeric acid is 305.20 g/mol.
Where can I buy 4-(decahydromethyl-3-oxo-1H-cyclopentaquinolinyl)valeric acid?
You can request a quote for 4-(decahydromethyl-3-oxo-1H-cyclopentaquinolinyl)valeric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(decahydromethyl-3-oxo-1H-cyclopentaquinolinyl)valeric acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(decahydromethyl-3-oxo-1H-cyclopentaquinolinyl)valeric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.