![3-[(4-methoxyphenyl)methyl]-6-(morpholin-4-yl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one structure](/static/products/6897/689771-23-1.webp)
3-[(4-methoxyphenyl)methyl]-6-(morpholin-4-yl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one
TL;DR: 3-[(4-methoxyphenyl)methyl]-6-(morpholin-4-yl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one (CAS 689771-23-1) is a chemical compound with molecular formula C27H26N4O5S and molecular weight 518.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one
Also Known As: 3-[(4-methoxyphenyl)methyl]-6-(morpholin-4-yl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one, F6548-4193, 3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one, 3-(4-methoxybenzyl)-6-morpholino-2-((3-nitrobenzyl)thio)quinazolin-4(3H)-one
| Molecular Formula | C27H26N4O5S |
|---|---|
| Molecular Weight | 518.16 g/mol |
| LogP | 4.4905 |
| Topological Polar Surface Area | 99.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 518.1624 |
| Heavy Atoms | 37 |
| Complexity | 1482.9047 |
Chemical Identifiers
| CAS Number | 689771-23-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)N4CCOCC4)N=C2SCC5=CC(=CC=C5)[N+](=O)[O-] |
Product Overview
3-[(4-methoxyphenyl)methyl]-6-(morpholin-4-yl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one (CAS 689771-23-1), with molecular formula C27H26N4O5S and molecular weight 518.16 g/mol. IUPAC: 3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one.
Chemical Property Profile of 3-[(4-methoxyphenyl)methyl]-6-(morpholin-4-yl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one
Property Insights of 3-[(4-methoxyphenyl)methyl]-6-(morpholin-4-yl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one
The XLogP value of 4.4905 indicates that 3-[(4-methoxyphenyl)methyl]-6-(morpholin-4-yl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-methoxyphenyl)methyl]-6-(morpholin-4-yl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one. Following Lipinski's Rule of Five, 3-[(4-methoxyphenyl)methyl]-6-(morpholin-4-yl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(4-methoxyphenyl)methyl]-6-(morpholin-4-yl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one?
The CAS number of 3-[(4-methoxyphenyl)methyl]-6-(morpholin-4-yl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one is 689771-23-1.
What is the molecular formula of 3-[(4-methoxyphenyl)methyl]-6-(morpholin-4-yl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one?
The molecular formula of 3-[(4-methoxyphenyl)methyl]-6-(morpholin-4-yl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one is C27H26N4O5S.
What is the molecular weight of 3-[(4-methoxyphenyl)methyl]-6-(morpholin-4-yl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one?
The molecular weight of 3-[(4-methoxyphenyl)methyl]-6-(morpholin-4-yl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one is 518.16 g/mol.
Where can I buy 3-[(4-methoxyphenyl)methyl]-6-(morpholin-4-yl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one?
You can request a quote for 3-[(4-methoxyphenyl)methyl]-6-(morpholin-4-yl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-methoxyphenyl)methyl]-6-(morpholin-4-yl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-methoxyphenyl)methyl]-6-(morpholin-4-yl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.