![2-(3-nitrophenyl)-1-{4-[(pyridin-4-yl)methyl]phenyl}-1,4,5,6,7,8-hexahydroquinazoline-4-thione structure](/static/products/4319/431916-64-2.webp)
2-(3-nitrophenyl)-1-{4-[(pyridin-4-yl)methyl]phenyl}-1,4,5,6,7,8-hexahydroquinazoline-4-thione
TL;DR: 2-(3-nitrophenyl)-1-{4-[(pyridin-4-yl)methyl]phenyl}-1,4,5,6,7,8-hexahydroquinazoline-4-thione (CAS 431916-64-2) is a chemical compound with molecular formula C26H22N4O2S and molecular weight 454.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-nitrophenyl)-1-[4-(pyridin-4-ylmethyl)phenyl]-5,6,7,8-tetrahydroquinazoline-4-thione
Also Known As: 2-(3-nitrophenyl)-1-{4-[(pyridin-4-yl)methyl]phenyl}-1,4,5,6,7,8-hexahydroquinazoline-4-thione, F1054-0021, 2-(3-nitrophenyl)-1-(4-(pyridin-4-ylmethyl)phenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione, 2-(3-nitrophenyl)-1-[4-(pyridin-4-ylmethyl)phenyl]-5,6,7,8-tetrahydroquinazoline-4-thione, 2-(3-nitrophenyl)-1-[4-(4-pyridylmethyl)phenyl]-1,5,6,7,8-pentahydroquinazolin e-4-thione
| Molecular Formula | C26H22N4O2S |
|---|---|
| Molecular Weight | 454.15 g/mol |
| LogP | 6.04159 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.14636 |
| Heavy Atoms | 33 |
| Complexity | 1382.065 |
Chemical Identifiers
| CAS Number | 431916-64-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=S)N=C(N2C3=CC=C(C=C3)CC4=CC=NC=C4)C5=CC(=CC=C5)[N+](=O)[O-] |
Product Overview
2-(3-nitrophenyl)-1-{4-[(pyridin-4-yl)methyl]phenyl}-1,4,5,6,7,8-hexahydroquinazoline-4-thione (CAS 431916-64-2), with molecular formula C26H22N4O2S and molecular weight 454.15 g/mol. IUPAC: 2-(3-nitrophenyl)-1-[4-(pyridin-4-ylmethyl)phenyl]-5,6,7,8-tetrahydroquinazoline-4-thione.
Chemical Property Profile of 2-(3-nitrophenyl)-1-{4-[(pyridin-4-yl)methyl]phenyl}-1,4,5,6,7,8-hexahydroquinazoline-4-thione
Property Insights of 2-(3-nitrophenyl)-1-{4-[(pyridin-4-yl)methyl]phenyl}-1,4,5,6,7,8-hexahydroquinazoline-4-thione
The XLogP value of 6.04159 indicates that 2-(3-nitrophenyl)-1-{4-[(pyridin-4-yl)methyl]phenyl}-1,4,5,6,7,8-hexahydroquinazoline-4-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-nitrophenyl)-1-{4-[(pyridin-4-yl)methyl]phenyl}-1,4,5,6,7,8-hexahydroquinazoline-4-thione. Following Lipinski's Rule of Five, 2-(3-nitrophenyl)-1-{4-[(pyridin-4-yl)methyl]phenyl}-1,4,5,6,7,8-hexahydroquinazoline-4-thione has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(3-nitrophenyl)-1-{4-[(pyridin-4-yl)methyl]phenyl}-1,4,5,6,7,8-hexahydroquinazoline-4-thione?
The CAS number of 2-(3-nitrophenyl)-1-{4-[(pyridin-4-yl)methyl]phenyl}-1,4,5,6,7,8-hexahydroquinazoline-4-thione is 431916-64-2.
What is the molecular formula of 2-(3-nitrophenyl)-1-{4-[(pyridin-4-yl)methyl]phenyl}-1,4,5,6,7,8-hexahydroquinazoline-4-thione?
The molecular formula of 2-(3-nitrophenyl)-1-{4-[(pyridin-4-yl)methyl]phenyl}-1,4,5,6,7,8-hexahydroquinazoline-4-thione is C26H22N4O2S.
What is the molecular weight of 2-(3-nitrophenyl)-1-{4-[(pyridin-4-yl)methyl]phenyl}-1,4,5,6,7,8-hexahydroquinazoline-4-thione?
The molecular weight of 2-(3-nitrophenyl)-1-{4-[(pyridin-4-yl)methyl]phenyl}-1,4,5,6,7,8-hexahydroquinazoline-4-thione is 454.15 g/mol.
Where can I buy 2-(3-nitrophenyl)-1-{4-[(pyridin-4-yl)methyl]phenyl}-1,4,5,6,7,8-hexahydroquinazoline-4-thione?
You can request a quote for 2-(3-nitrophenyl)-1-{4-[(pyridin-4-yl)methyl]phenyl}-1,4,5,6,7,8-hexahydroquinazoline-4-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-nitrophenyl)-1-{4-[(pyridin-4-yl)methyl]phenyl}-1,4,5,6,7,8-hexahydroquinazoline-4-thione?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-nitrophenyl)-1-{4-[(pyridin-4-yl)methyl]phenyl}-1,4,5,6,7,8-hexahydroquinazoline-4-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.