1-(2-hydroxyethyl)-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
TL;DR: 1-(2-hydroxyethyl)-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione (CAS 433322-72-6) is a chemical compound with molecular formula C16H17N3O3S and molecular weight 331.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-hydroxyethyl)-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione
Also Known As: BAS 04881391, F1108-0016, 1-(2-hydroxyethyl)-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione, 1-(2-hydroxyethyl)-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione, 1-(2-hydroxyethyl)-2-(4-nitrophenyl)-1,4,5,6,7,8-hexahydroquinazoline-4-thione
| Molecular Formula | C16H17N3O3S |
|---|---|
| Molecular Weight | 331.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.09906 |
| Heavy Atoms | 23 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 433322-72-6 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=S)N=C(N2CCO)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | JXJPQCWLYYXUIC-UHFFFAOYSA-N |
Product Overview
1-(2-hydroxyethyl)-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione (CAS 433322-72-6), with molecular formula C16H17N3O3S and molecular weight 331.10 g/mol. IUPAC: 1-(2-hydroxyethyl)-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione.
Chemical Property Profile of 1-(2-hydroxyethyl)-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
Property Insights of 1-(2-hydroxyethyl)-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-hydroxyethyl)-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-hydroxyethyl)-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione. Following Lipinski's Rule of Five, 1-(2-hydroxyethyl)-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(2-hydroxyethyl)-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione?
The CAS number of 1-(2-hydroxyethyl)-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione is 433322-72-6.
What is the molecular formula of 1-(2-hydroxyethyl)-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione?
The molecular formula of 1-(2-hydroxyethyl)-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione is C16H17N3O3S.
What is the molecular weight of 1-(2-hydroxyethyl)-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione?
The molecular weight of 1-(2-hydroxyethyl)-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione is 331.10 g/mol.
Where can I buy 1-(2-hydroxyethyl)-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione?
You can request a quote for 1-(2-hydroxyethyl)-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-hydroxyethyl)-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-hydroxyethyl)-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.