Decahydro-4-quinolinyl benzoate
TL;DR: Decahydro-4-quinolinyl benzoate (CAS 95135-10-7) is a chemical compound with molecular formula C16H21NO2 and molecular weight 259.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl benzoate
Also Known As: Decahydro-4-quinolinyl benzoate, decahydroquinolin-4-yl benzoate, Decahydro-4-quinolinyl benzoate #, 5-azabicyclo[4.4.0]dec-2-yl benzoate, Benzoic acid, perhydroquinolin-4-yl ester
| Molecular Formula | C16H21NO2 |
|---|---|
| Molecular Weight | 259.16 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.15723 |
| Heavy Atoms | 19 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 95135-10-7 |
|---|---|
| SMILES | C1CCC2C(C1)C(CCN2)OC(=O)C3=CC=CC=C3 |
| InChIKey | MHURPUBOKOVYBH-UHFFFAOYSA-N |
Product Overview
Decahydro-4-quinolinyl benzoate (CAS 95135-10-7), with molecular formula C16H21NO2 and molecular weight 259.16 g/mol. IUPAC: 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl benzoate.
Chemical Property Profile of Decahydro-4-quinolinyl benzoate
Property Insights of Decahydro-4-quinolinyl benzoate
The XLogP value of 3.3 indicates that Decahydro-4-quinolinyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Decahydro-4-quinolinyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Decahydro-4-quinolinyl benzoate has 1 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 Decahydro-4-quinolinyl benzoate?
The CAS number of Decahydro-4-quinolinyl benzoate is 95135-10-7.
What is the molecular formula of Decahydro-4-quinolinyl benzoate?
The molecular formula of Decahydro-4-quinolinyl benzoate is C16H21NO2.
What is the molecular weight of Decahydro-4-quinolinyl benzoate?
The molecular weight of Decahydro-4-quinolinyl benzoate is 259.16 g/mol.
Where can I buy Decahydro-4-quinolinyl benzoate?
You can request a quote for Decahydro-4-quinolinyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decahydro-4-quinolinyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for Decahydro-4-quinolinyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.