2-(3-Nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thiol
TL;DR: 2-(3-Nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thiol (CAS 446277-52-7) is a chemical compound with molecular formula C14H13N3O2S and molecular weight 287.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-nitrophenyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
Also Known As: 2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thiol, F1108-0029, 2-(3-nitrophenyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione, 2-(m-nitrophenyl)-5,6,7,8-tetrahydro-4-quinazolinethiol
| Molecular Formula | C14H13N3O2S |
|---|---|
| Molecular Weight | 287.07 g/mol |
| LogP | 3.59319 |
| Topological Polar Surface Area | 71.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.07285 |
| Heavy Atoms | 20 |
| Complexity | 739.43915 |
Chemical Identifiers
| CAS Number | 446277-52-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=S)N=C(N2)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
2-(3-Nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thiol (CAS 446277-52-7), with molecular formula C14H13N3O2S and molecular weight 287.07 g/mol. IUPAC: 2-(3-nitrophenyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione.
Chemical Property Profile of 2-(3-Nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thiol
Property Insights of 2-(3-Nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thiol
The XLogP value of 3.59319 indicates that 2-(3-Nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thiol. Following Lipinski's Rule of Five, 2-(3-Nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thiol 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 2-(3-Nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thiol?
The CAS number of 2-(3-Nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thiol is 446277-52-7.
What is the molecular formula of 2-(3-Nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thiol?
The molecular formula of 2-(3-Nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thiol is C14H13N3O2S.
What is the molecular weight of 2-(3-Nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thiol?
The molecular weight of 2-(3-Nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thiol is 287.07 g/mol.
Where can I buy 2-(3-Nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thiol?
You can request a quote for 2-(3-Nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thiol 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)-5,6,7,8-tetrahydroquinazoline-4-thiol?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.