4-(allyloxy)-N-(6-bromo-2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,4-dihydro-3(2H)-quinazolinyl)benzamide
TL;DR: 4-(allyloxy)-N-(6-bromo-2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,4-dihydro-3(2H)-quinazolinyl)benzamide (CAS 445253-29-2) is a chemical compound with molecular formula C27H26BrN3O5 and molecular weight 551.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[6-bromo-2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-prop-2-enoxybenzamide
Also Known As: 4-(allyloxy)-N-(6-bromo-2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,4-dihydro-3(2H)-quinazolinyl)benzamide, N-[6-bromo-2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-prop-2-enoxybenzamide, N-[6-bromo-2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,4-dihydroquinazolin-3(2H)-yl]-4-(prop-2-en-1-yloxy)benzamide
| Molecular Formula | C27H26BrN3O5 |
|---|---|
| Molecular Weight | 551.11 g/mol |
| LogP | 5.3327 |
| Topological Polar Surface Area | 89.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 551.1056 |
| Heavy Atoms | 36 |
| Complexity | 1278.9008 |
Chemical Identifiers
| CAS Number | 445253-29-2 |
|---|---|
| SMILES | CCOC1=CC(=C(C=C1)OC)C2NC3=C(C=C(C=C3)Br)C(=O)N2NC(=O)C4=CC=C(C=C4)OCC=C |
Product Overview
4-(allyloxy)-N-(6-bromo-2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,4-dihydro-3(2H)-quinazolinyl)benzamide (CAS 445253-29-2), with molecular formula C27H26BrN3O5 and molecular weight 551.11 g/mol. IUPAC: N-[6-bromo-2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-prop-2-enoxybenzamide.
Chemical Property Profile of 4-(allyloxy)-N-(6-bromo-2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,4-dihydro-3(2H)-quinazolinyl)benzamide
Property Insights of 4-(allyloxy)-N-(6-bromo-2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,4-dihydro-3(2H)-quinazolinyl)benzamide
The XLogP value of 5.3327 indicates that 4-(allyloxy)-N-(6-bromo-2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,4-dihydro-3(2H)-quinazolinyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(allyloxy)-N-(6-bromo-2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,4-dihydro-3(2H)-quinazolinyl)benzamide. Following Lipinski's Rule of Five, 4-(allyloxy)-N-(6-bromo-2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,4-dihydro-3(2H)-quinazolinyl)benzamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(allyloxy)-N-(6-bromo-2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,4-dihydro-3(2H)-quinazolinyl)benzamide?
The CAS number of 4-(allyloxy)-N-(6-bromo-2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,4-dihydro-3(2H)-quinazolinyl)benzamide is 445253-29-2.
What is the molecular formula of 4-(allyloxy)-N-(6-bromo-2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,4-dihydro-3(2H)-quinazolinyl)benzamide?
The molecular formula of 4-(allyloxy)-N-(6-bromo-2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,4-dihydro-3(2H)-quinazolinyl)benzamide is C27H26BrN3O5.
What is the molecular weight of 4-(allyloxy)-N-(6-bromo-2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,4-dihydro-3(2H)-quinazolinyl)benzamide?
The molecular weight of 4-(allyloxy)-N-(6-bromo-2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,4-dihydro-3(2H)-quinazolinyl)benzamide is 551.11 g/mol.
Where can I buy 4-(allyloxy)-N-(6-bromo-2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,4-dihydro-3(2H)-quinazolinyl)benzamide?
You can request a quote for 4-(allyloxy)-N-(6-bromo-2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,4-dihydro-3(2H)-quinazolinyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(allyloxy)-N-(6-bromo-2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,4-dihydro-3(2H)-quinazolinyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(allyloxy)-N-(6-bromo-2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,4-dihydro-3(2H)-quinazolinyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.