Butyric acid 1-benzoyl-2,6-dimethyl-1,2,3,4-tetrahydro-quinolin-4-yl ester
TL;DR: Butyric acid 1-benzoyl-2,6-dimethyl-1,2,3,4-tetrahydro-quinolin-4-yl ester (CAS 332861-45-7) is a chemical compound with molecular formula C22H25NO3 and molecular weight 351.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-benzoyl-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl) butanoate
Also Known As: BAS 01849533, 1-BENZOYL-2,6-DIMETHYL-1,2,3,4-TETRAHYDRO-4-QUINOLINYL BUTYRATE, Butyric acid 1-benzoyl-2,6-dimethyl-1,2,3,4-tetrahydro-quinolin-4-yl ester, (1-benzoyl-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl) butanoate, 1-benzoyl-2,6-dimethyl-1,2,3,4-tetrahydroquinolin-4-yl butyrate
| Molecular Formula | C22H25NO3 |
|---|---|
| Molecular Weight | 351.18 g/mol |
| LogP | 4.81842 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.18344 |
| Heavy Atoms | 26 |
| Complexity | 800.2896 |
Chemical Identifiers
| CAS Number | 332861-45-7 |
|---|---|
| SMILES | CCCC(=O)OC1CC(N(C2=C1C=C(C=C2)C)C(=O)C3=CC=CC=C3)C |
Product Overview
Butyric acid 1-benzoyl-2,6-dimethyl-1,2,3,4-tetrahydro-quinolin-4-yl ester (CAS 332861-45-7), with molecular formula C22H25NO3 and molecular weight 351.18 g/mol. IUPAC: (1-benzoyl-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl) butanoate.
Chemical Property Profile of Butyric acid 1-benzoyl-2,6-dimethyl-1,2,3,4-tetrahydro-quinolin-4-yl ester
Property Insights of Butyric acid 1-benzoyl-2,6-dimethyl-1,2,3,4-tetrahydro-quinolin-4-yl ester
The XLogP value of 4.81842 indicates that Butyric acid 1-benzoyl-2,6-dimethyl-1,2,3,4-tetrahydro-quinolin-4-yl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, Butyric acid 1-benzoyl-2,6-dimethyl-1,2,3,4-tetrahydro-quinolin-4-yl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyric acid 1-benzoyl-2,6-dimethyl-1,2,3,4-tetrahydro-quinolin-4-yl ester has 0 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 Butyric acid 1-benzoyl-2,6-dimethyl-1,2,3,4-tetrahydro-quinolin-4-yl ester?
The CAS number of Butyric acid 1-benzoyl-2,6-dimethyl-1,2,3,4-tetrahydro-quinolin-4-yl ester is 332861-45-7.
What is the molecular formula of Butyric acid 1-benzoyl-2,6-dimethyl-1,2,3,4-tetrahydro-quinolin-4-yl ester?
The molecular formula of Butyric acid 1-benzoyl-2,6-dimethyl-1,2,3,4-tetrahydro-quinolin-4-yl ester is C22H25NO3.
What is the molecular weight of Butyric acid 1-benzoyl-2,6-dimethyl-1,2,3,4-tetrahydro-quinolin-4-yl ester?
The molecular weight of Butyric acid 1-benzoyl-2,6-dimethyl-1,2,3,4-tetrahydro-quinolin-4-yl ester is 351.18 g/mol.
Where can I buy Butyric acid 1-benzoyl-2,6-dimethyl-1,2,3,4-tetrahydro-quinolin-4-yl ester?
You can request a quote for Butyric acid 1-benzoyl-2,6-dimethyl-1,2,3,4-tetrahydro-quinolin-4-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyric acid 1-benzoyl-2,6-dimethyl-1,2,3,4-tetrahydro-quinolin-4-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Butyric acid 1-benzoyl-2,6-dimethyl-1,2,3,4-tetrahydro-quinolin-4-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.