2-(3-Nitrophenyl)-1-(prop-2-en-1-yl)-1,4,5,6,7,8-hexahydroquinazoline-4-thione
TL;DR: 2-(3-Nitrophenyl)-1-(prop-2-en-1-yl)-1,4,5,6,7,8-hexahydroquinazoline-4-thione (CAS 616214-32-5) is a chemical compound with molecular formula C17H17N3O2S and molecular weight 327.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-nitrophenyl)-1-prop-2-enyl-5,6,7,8-tetrahydroquinazoline-4-thione
Also Known As: 2-(3-nitrophenyl)-1-(prop-2-en-1-yl)-1,4,5,6,7,8-hexahydroquinazoline-4-thione, F1326-0018, 1-allyl-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione, 2-(3-nitrophenyl)-1-prop-2-enyl-5,6,7,8-tetrahydroquinazoline-4-thione, 2-(3-nitrophenyl)-1-prop-2-enyl-1,5,6,7,8-pentahydroquinazoline-4-thione
| Molecular Formula | C17H17N3O2S |
|---|---|
| Molecular Weight | 327.10 g/mol |
| LogP | 4.25259 |
| Topological Polar Surface Area | 60.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.10416 |
| Heavy Atoms | 23 |
| Complexity | 842.2175 |
Chemical Identifiers
| CAS Number | 616214-32-5 |
|---|---|
| SMILES | C=CCN1C2=C(CCCC2)C(=S)N=C1C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
2-(3-Nitrophenyl)-1-(prop-2-en-1-yl)-1,4,5,6,7,8-hexahydroquinazoline-4-thione (CAS 616214-32-5), with molecular formula C17H17N3O2S and molecular weight 327.10 g/mol. IUPAC: 2-(3-nitrophenyl)-1-prop-2-enyl-5,6,7,8-tetrahydroquinazoline-4-thione.
Chemical Property Profile of 2-(3-Nitrophenyl)-1-(prop-2-en-1-yl)-1,4,5,6,7,8-hexahydroquinazoline-4-thione
Property Insights of 2-(3-Nitrophenyl)-1-(prop-2-en-1-yl)-1,4,5,6,7,8-hexahydroquinazoline-4-thione
The XLogP value of 4.25259 indicates that 2-(3-Nitrophenyl)-1-(prop-2-en-1-yl)-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 2-(3-Nitrophenyl)-1-(prop-2-en-1-yl)-1,4,5,6,7,8-hexahydroquinazoline-4-thione. Following Lipinski's Rule of Five, 2-(3-Nitrophenyl)-1-(prop-2-en-1-yl)-1,4,5,6,7,8-hexahydroquinazoline-4-thione has 0 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 2-(3-Nitrophenyl)-1-(prop-2-en-1-yl)-1,4,5,6,7,8-hexahydroquinazoline-4-thione?
The CAS number of 2-(3-Nitrophenyl)-1-(prop-2-en-1-yl)-1,4,5,6,7,8-hexahydroquinazoline-4-thione is 616214-32-5.
What is the molecular formula of 2-(3-Nitrophenyl)-1-(prop-2-en-1-yl)-1,4,5,6,7,8-hexahydroquinazoline-4-thione?
The molecular formula of 2-(3-Nitrophenyl)-1-(prop-2-en-1-yl)-1,4,5,6,7,8-hexahydroquinazoline-4-thione is C17H17N3O2S.
What is the molecular weight of 2-(3-Nitrophenyl)-1-(prop-2-en-1-yl)-1,4,5,6,7,8-hexahydroquinazoline-4-thione?
The molecular weight of 2-(3-Nitrophenyl)-1-(prop-2-en-1-yl)-1,4,5,6,7,8-hexahydroquinazoline-4-thione is 327.10 g/mol.
Where can I buy 2-(3-Nitrophenyl)-1-(prop-2-en-1-yl)-1,4,5,6,7,8-hexahydroquinazoline-4-thione?
You can request a quote for 2-(3-Nitrophenyl)-1-(prop-2-en-1-yl)-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-(prop-2-en-1-yl)-1,4,5,6,7,8-hexahydroquinazoline-4-thione?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Nitrophenyl)-1-(prop-2-en-1-yl)-1,4,5,6,7,8-hexahydroquinazoline-4-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.