1-Benzyl-2-(3-nitrophenyl)-1,4,5,6,7,8-hexahydroquinazoline-4-thione
TL;DR: 1-Benzyl-2-(3-nitrophenyl)-1,4,5,6,7,8-hexahydroquinazoline-4-thione (CAS 431978-56-2) is a chemical compound with molecular formula C21H19N3O2S and molecular weight 377.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione
Also Known As: 1-benzyl-2-(3-nitrophenyl)-1,4,5,6,7,8-hexahydroquinazoline-4-thione, F1054-0018, 1-benzyl-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione, 1-benzyl-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione, 2-(3-nitrophenyl)-1-benzyl-1,5,6,7,8-pentahydroquinazoline-4-thione
| Molecular Formula | C21H19N3O2S |
|---|---|
| Molecular Weight | 377.12 g/mol |
| LogP | 5.11489 |
| Topological Polar Surface Area | 60.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.1198 |
| Heavy Atoms | 27 |
| Complexity | 1060.767 |
Chemical Identifiers
| CAS Number | 431978-56-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=S)N=C(N2CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
1-Benzyl-2-(3-nitrophenyl)-1,4,5,6,7,8-hexahydroquinazoline-4-thione (CAS 431978-56-2), with molecular formula C21H19N3O2S and molecular weight 377.12 g/mol. IUPAC: 1-benzyl-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione.
Chemical Property Profile of 1-Benzyl-2-(3-nitrophenyl)-1,4,5,6,7,8-hexahydroquinazoline-4-thione
Property Insights of 1-Benzyl-2-(3-nitrophenyl)-1,4,5,6,7,8-hexahydroquinazoline-4-thione
The XLogP value of 5.11489 indicates that 1-Benzyl-2-(3-nitrophenyl)-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 60.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzyl-2-(3-nitrophenyl)-1,4,5,6,7,8-hexahydroquinazoline-4-thione. Following Lipinski's Rule of Five, 1-Benzyl-2-(3-nitrophenyl)-1,4,5,6,7,8-hexahydroquinazoline-4-thione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Benzyl-2-(3-nitrophenyl)-1,4,5,6,7,8-hexahydroquinazoline-4-thione?
The CAS number of 1-Benzyl-2-(3-nitrophenyl)-1,4,5,6,7,8-hexahydroquinazoline-4-thione is 431978-56-2.
What is the molecular formula of 1-Benzyl-2-(3-nitrophenyl)-1,4,5,6,7,8-hexahydroquinazoline-4-thione?
The molecular formula of 1-Benzyl-2-(3-nitrophenyl)-1,4,5,6,7,8-hexahydroquinazoline-4-thione is C21H19N3O2S.
What is the molecular weight of 1-Benzyl-2-(3-nitrophenyl)-1,4,5,6,7,8-hexahydroquinazoline-4-thione?
The molecular weight of 1-Benzyl-2-(3-nitrophenyl)-1,4,5,6,7,8-hexahydroquinazoline-4-thione is 377.12 g/mol.
Where can I buy 1-Benzyl-2-(3-nitrophenyl)-1,4,5,6,7,8-hexahydroquinazoline-4-thione?
You can request a quote for 1-Benzyl-2-(3-nitrophenyl)-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 1-Benzyl-2-(3-nitrophenyl)-1,4,5,6,7,8-hexahydroquinazoline-4-thione?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-2-(3-nitrophenyl)-1,4,5,6,7,8-hexahydroquinazoline-4-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.