1-(3-hydroxypropyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
TL;DR: 1-(3-hydroxypropyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione (CAS 538338-50-0) is a chemical compound with molecular formula C17H19N3O3S and molecular weight 345.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-hydroxypropyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione
Also Known As: 1-(3-hydroxypropyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione, 1-(3-hydroxypropyl)-2-(3-nitrophenyl)-1,4,5,6,7,8-hexahydroquinazoline-4-thione, 1-(3-hydroxypropyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione, 3-[2-(3-nitrophenyl)-4-thioxo-1,5,6,7,8-pentahydroquinazolinyl]propan-1-ol
| Molecular Formula | C17H19N3O3S |
|---|---|
| Molecular Weight | 345.11 g/mol |
| LogP | 3.44899 |
| Topological Polar Surface Area | 81.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.11472 |
| Heavy Atoms | 24 |
| Complexity | 832.31586 |
Chemical Identifiers
| CAS Number | 538338-50-0 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=S)N=C(N2CCCO)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
1-(3-hydroxypropyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione (CAS 538338-50-0), with molecular formula C17H19N3O3S and molecular weight 345.11 g/mol. IUPAC: 1-(3-hydroxypropyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione.
Chemical Property Profile of 1-(3-hydroxypropyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
Property Insights of 1-(3-hydroxypropyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
The XLogP value of 3.44899 indicates that 1-(3-hydroxypropyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-hydroxypropyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione. Following Lipinski's Rule of Five, 1-(3-hydroxypropyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione has 1 hydrogen bond donor(s) and 5 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-(3-hydroxypropyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione?
The CAS number of 1-(3-hydroxypropyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione is 538338-50-0.
What is the molecular formula of 1-(3-hydroxypropyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione?
The molecular formula of 1-(3-hydroxypropyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione is C17H19N3O3S.
What is the molecular weight of 1-(3-hydroxypropyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione?
The molecular weight of 1-(3-hydroxypropyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione is 345.11 g/mol.
Where can I buy 1-(3-hydroxypropyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione?
You can request a quote for 1-(3-hydroxypropyl)-2-(3-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-(3-hydroxypropyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-hydroxypropyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.