4-(3-nitrophenyl)-2-thioxo-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one
TL;DR: 4-(3-nitrophenyl)-2-thioxo-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one (CAS 300850-01-5) is a chemical compound with molecular formula C14H13N3O3S and molecular weight 303.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-nitrophenyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one
Also Known As: J2.126.444J, 4-(3-nitrophenyl)-2-thioxo-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one, 4-(3-nitrophenyl)-2-sulfanylidene-1,2,3,4,5,6,7,8-octahydroquinazolin-5-one, 4-(3-nitrophenyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one, F0581-0515
| Molecular Formula | C14H13N3O3S |
|---|---|
| Molecular Weight | 303.07 g/mol |
| LogP | 2.1207 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 303.06775 |
| Heavy Atoms | 21 |
| Complexity | 683.79675 |
Chemical Identifiers
| CAS Number | 300850-01-5 |
|---|---|
| SMILES | C1CC2=C(C(NC(=S)N2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C1 |
Product Overview
4-(3-nitrophenyl)-2-thioxo-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one (CAS 300850-01-5), with molecular formula C14H13N3O3S and molecular weight 303.07 g/mol. IUPAC: 4-(3-nitrophenyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one.
Chemical Property Profile of 4-(3-nitrophenyl)-2-thioxo-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one
Property Insights of 4-(3-nitrophenyl)-2-thioxo-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one
The XLogP value of 2.1207 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-nitrophenyl)-2-thioxo-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one. The TPSA of 84.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-nitrophenyl)-2-thioxo-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one. Following Lipinski's Rule of Five, 4-(3-nitrophenyl)-2-thioxo-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one has 2 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 4-(3-nitrophenyl)-2-thioxo-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one?
The CAS number of 4-(3-nitrophenyl)-2-thioxo-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one is 300850-01-5.
What is the molecular formula of 4-(3-nitrophenyl)-2-thioxo-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one?
The molecular formula of 4-(3-nitrophenyl)-2-thioxo-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one is C14H13N3O3S.
What is the molecular weight of 4-(3-nitrophenyl)-2-thioxo-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one?
The molecular weight of 4-(3-nitrophenyl)-2-thioxo-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one is 303.07 g/mol.
Where can I buy 4-(3-nitrophenyl)-2-thioxo-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one?
You can request a quote for 4-(3-nitrophenyl)-2-thioxo-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-nitrophenyl)-2-thioxo-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-nitrophenyl)-2-thioxo-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.