TL;DR: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine (CAS 422533-65-1) is a chemical compound with molecular formula C25H24N4O4S and molecular weight 476.15182 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-amine
Also Known As: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine, F6548-4571, N-(3,4-dimethoxyphenethyl)-2-((4-nitrobenzyl)thio)quinazolin-4-amine, N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-amine
| Molecular Formula | C25H24N4O4S |
| Molecular Weight | 476.15182 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 476.15182 Da |
| Heavy Atoms | 34 |
| Complexity | 631.0 |
| SMILES | COC1=C(C=C(C=C1)CCNC2=NC(=NC3=CC=CC=C32)SCC4=CC=C(C=C4)[N+](=O)[O-])OC |
| InChIKey | FHHVDZGJHOCMOS-UHFFFAOYSA-N |
The XLogP value of 5.9 indicates that N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine. Following Lipinski's Rule of Five, N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine is 422533-65-1.
The molecular formula of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine is C25H24N4O4S.
The molecular weight of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine is 476.15182 g/mol.
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