1-isobutyl-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
TL;DR: 1-isobutyl-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione (CAS 433941-41-4) is a chemical compound with molecular formula C18H21N3O2S and molecular weight 343.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methylpropyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione
Also Known As: UPCMLD0ENAT5463033:001, 1-isobutyl-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione, 1-(2-methylpropyl)-2-(3-nitrophenyl)-1,4,5,6,7,8-hexahydroquinazoline-4-thione, 1-(2-methylpropyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione, F1123-0010
| Molecular Formula | C18H21N3O2S |
|---|---|
| Molecular Weight | 343.14 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.13544 |
| Heavy Atoms | 24 |
| Complexity | 592.0 |
Chemical Identifiers
| CAS Number | 433941-41-4 |
|---|---|
| SMILES | CC(C)CN1C2=C(CCCC2)C(=S)N=C1C3=CC(=CC=C3)[N+](=O)[O-] |
| InChIKey | QFPSGUFHIGJBTJ-UHFFFAOYSA-N |
Product Overview
1-isobutyl-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione (CAS 433941-41-4), with molecular formula C18H21N3O2S and molecular weight 343.14 g/mol. IUPAC: 1-(2-methylpropyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione.
Chemical Property Profile of 1-isobutyl-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
Property Insights of 1-isobutyl-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
The XLogP value of 4.1 indicates that 1-isobutyl-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 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-isobutyl-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione. Following Lipinski's Rule of Five, 1-isobutyl-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione has 0 hydrogen bond donor(s) and 3 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-isobutyl-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione?
The CAS number of 1-isobutyl-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione is 433941-41-4.
What is the molecular formula of 1-isobutyl-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione?
The molecular formula of 1-isobutyl-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione is C18H21N3O2S.
What is the molecular weight of 1-isobutyl-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione?
The molecular weight of 1-isobutyl-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione is 343.14 g/mol.
Where can I buy 1-isobutyl-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione?
You can request a quote for 1-isobutyl-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-isobutyl-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 1-isobutyl-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.