![3-benzyl-2-(4-(tert-butyl)phenyl)-10-methylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione structure](/static/products/883/883958-75-6.png)
3-benzyl-2-(4-(tert-butyl)phenyl)-10-methylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
TL;DR: 3-benzyl-2-(4-(tert-butyl)phenyl)-10-methylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione (CAS 883958-75-6) is a chemical compound with molecular formula C29H27N3O2 and molecular weight 449.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2-(4-tert-butylphenyl)-10-methylpyrimido[4,5-b]quinoline-4,5-dione
Also Known As: 3-benzyl-2-(4-(tert-butyl)phenyl)-10-methylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione, 3-benzyl-2-(4-tert-butylphenyl)-10-methylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione, 3-benzyl-2-(4-tert-butylphenyl)-10-methylpyrimido[4,5-b]quinoline-4,5-dione
| Molecular Formula | C29H27N3O2 |
|---|---|
| Molecular Weight | 449.21 g/mol |
| LogP | 5.2612 |
| Topological Polar Surface Area | 56.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 449.21033 |
| Heavy Atoms | 34 |
| Complexity | 1638.4119 |
Chemical Identifiers
| CAS Number | 883958-75-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C(=O)C4=CC=CC=C4N3C)C(=O)N2CC5=CC=CC=C5 |
Product Overview
3-benzyl-2-(4-(tert-butyl)phenyl)-10-methylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione (CAS 883958-75-6), with molecular formula C29H27N3O2 and molecular weight 449.21 g/mol. IUPAC: 3-benzyl-2-(4-tert-butylphenyl)-10-methylpyrimido[4,5-b]quinoline-4,5-dione.
Chemical Property Profile of 3-benzyl-2-(4-(tert-butyl)phenyl)-10-methylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
Property Insights of 3-benzyl-2-(4-(tert-butyl)phenyl)-10-methylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
The XLogP value of 5.2612 indicates that 3-benzyl-2-(4-(tert-butyl)phenyl)-10-methylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.89 Ų, 3-benzyl-2-(4-(tert-butyl)phenyl)-10-methylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-benzyl-2-(4-(tert-butyl)phenyl)-10-methylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-benzyl-2-(4-(tert-butyl)phenyl)-10-methylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione?
The CAS number of 3-benzyl-2-(4-(tert-butyl)phenyl)-10-methylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione is 883958-75-6.
What is the molecular formula of 3-benzyl-2-(4-(tert-butyl)phenyl)-10-methylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione?
The molecular formula of 3-benzyl-2-(4-(tert-butyl)phenyl)-10-methylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione is C29H27N3O2.
What is the molecular weight of 3-benzyl-2-(4-(tert-butyl)phenyl)-10-methylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione?
The molecular weight of 3-benzyl-2-(4-(tert-butyl)phenyl)-10-methylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione is 449.21 g/mol.
Where can I buy 3-benzyl-2-(4-(tert-butyl)phenyl)-10-methylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione?
You can request a quote for 3-benzyl-2-(4-(tert-butyl)phenyl)-10-methylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzyl-2-(4-(tert-butyl)phenyl)-10-methylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-2-(4-(tert-butyl)phenyl)-10-methylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.