(7-methyl-2-oxo-1H-quinolin-3-yl)methyl 4-tert-butylbenzoate
TL;DR: (7-methyl-2-oxo-1H-quinolin-3-yl)methyl 4-tert-butylbenzoate (CAS 714289-07-3) is a chemical compound with molecular formula C22H23NO3 and molecular weight 349.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-methyl-2-oxo-1H-quinolin-3-yl)methyl 4-tert-butylbenzoate
Also Known As: (2-hydroxy-7-methylquinolin-3-yl)methyl 4-(tert-butyl)benzoate, (7-methyl-2-oxo-1H-quinolin-3-yl)methyl 4-tert-butylbenzoate, (7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl 4-tert-butylbenzoate
| Molecular Formula | C22H23NO3 |
|---|---|
| Molecular Weight | 349.17 g/mol |
| LogP | 4.49102 |
| Topological Polar Surface Area | 59.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.1678 |
| Heavy Atoms | 26 |
| Complexity | 1008.22217 |
Chemical Identifiers
| CAS Number | 714289-07-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C=C(C(=O)N2)COC(=O)C3=CC=C(C=C3)C(C)(C)C |
Product Overview
(7-methyl-2-oxo-1H-quinolin-3-yl)methyl 4-tert-butylbenzoate (CAS 714289-07-3), with molecular formula C22H23NO3 and molecular weight 349.17 g/mol. IUPAC: (7-methyl-2-oxo-1H-quinolin-3-yl)methyl 4-tert-butylbenzoate.
Chemical Property Profile of (7-methyl-2-oxo-1H-quinolin-3-yl)methyl 4-tert-butylbenzoate
Property Insights of (7-methyl-2-oxo-1H-quinolin-3-yl)methyl 4-tert-butylbenzoate
The XLogP value of 4.49102 indicates that (7-methyl-2-oxo-1H-quinolin-3-yl)methyl 4-tert-butylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.16 Ų, (7-methyl-2-oxo-1H-quinolin-3-yl)methyl 4-tert-butylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (7-methyl-2-oxo-1H-quinolin-3-yl)methyl 4-tert-butylbenzoate 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 (7-methyl-2-oxo-1H-quinolin-3-yl)methyl 4-tert-butylbenzoate?
The CAS number of (7-methyl-2-oxo-1H-quinolin-3-yl)methyl 4-tert-butylbenzoate is 714289-07-3.
What is the molecular formula of (7-methyl-2-oxo-1H-quinolin-3-yl)methyl 4-tert-butylbenzoate?
The molecular formula of (7-methyl-2-oxo-1H-quinolin-3-yl)methyl 4-tert-butylbenzoate is C22H23NO3.
What is the molecular weight of (7-methyl-2-oxo-1H-quinolin-3-yl)methyl 4-tert-butylbenzoate?
The molecular weight of (7-methyl-2-oxo-1H-quinolin-3-yl)methyl 4-tert-butylbenzoate is 349.17 g/mol.
Where can I buy (7-methyl-2-oxo-1H-quinolin-3-yl)methyl 4-tert-butylbenzoate?
You can request a quote for (7-methyl-2-oxo-1H-quinolin-3-yl)methyl 4-tert-butylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (7-methyl-2-oxo-1H-quinolin-3-yl)methyl 4-tert-butylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for (7-methyl-2-oxo-1H-quinolin-3-yl)methyl 4-tert-butylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.