2(1H)-Pyrimidinethione, 3,4-dihydro-4-(4-nitrophenyl)-6-phenyl-
TL;DR: 2(1H)-Pyrimidinethione, 3,4-dihydro-4-(4-nitrophenyl)-6-phenyl- (CAS 295361-40-9) is a chemical compound with molecular formula C16H13N3O2S and molecular weight 311.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-nitrophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidine-2-thione
Also Known As: 2(1H)-Pyrimidinethione, 3,4-dihydro-4-(4-nitrophenyl)-6-phenyl-, 4-(4-nitrophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidine-2-thione, 4-(4-nitrophenyl)-6-phenyl-3,4-dihydropyrimidine-2(1H)-thione
| Molecular Formula | C16H13N3O2S |
|---|---|
| Molecular Weight | 311.07 g/mol |
| LogP | 3.1547 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.07285 |
| Heavy Atoms | 22 |
| Complexity | 741.74603 |
Chemical Identifiers
| CAS Number | 295361-40-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(NC(=S)N2)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
2(1H)-Pyrimidinethione, 3,4-dihydro-4-(4-nitrophenyl)-6-phenyl- (CAS 295361-40-9), with molecular formula C16H13N3O2S and molecular weight 311.07 g/mol. IUPAC: 4-(4-nitrophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidine-2-thione.
Chemical Property Profile of 2(1H)-Pyrimidinethione, 3,4-dihydro-4-(4-nitrophenyl)-6-phenyl-
Property Insights of 2(1H)-Pyrimidinethione, 3,4-dihydro-4-(4-nitrophenyl)-6-phenyl-
The XLogP value of 3.1547 indicates that 2(1H)-Pyrimidinethione, 3,4-dihydro-4-(4-nitrophenyl)-6-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2(1H)-Pyrimidinethione, 3,4-dihydro-4-(4-nitrophenyl)-6-phenyl-. Following Lipinski's Rule of Five, 2(1H)-Pyrimidinethione, 3,4-dihydro-4-(4-nitrophenyl)-6-phenyl- has 2 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 2(1H)-Pyrimidinethione, 3,4-dihydro-4-(4-nitrophenyl)-6-phenyl-?
The CAS number of 2(1H)-Pyrimidinethione, 3,4-dihydro-4-(4-nitrophenyl)-6-phenyl- is 295361-40-9.
What is the molecular formula of 2(1H)-Pyrimidinethione, 3,4-dihydro-4-(4-nitrophenyl)-6-phenyl-?
The molecular formula of 2(1H)-Pyrimidinethione, 3,4-dihydro-4-(4-nitrophenyl)-6-phenyl- is C16H13N3O2S.
What is the molecular weight of 2(1H)-Pyrimidinethione, 3,4-dihydro-4-(4-nitrophenyl)-6-phenyl-?
The molecular weight of 2(1H)-Pyrimidinethione, 3,4-dihydro-4-(4-nitrophenyl)-6-phenyl- is 311.07 g/mol.
Where can I buy 2(1H)-Pyrimidinethione, 3,4-dihydro-4-(4-nitrophenyl)-6-phenyl-?
You can request a quote for 2(1H)-Pyrimidinethione, 3,4-dihydro-4-(4-nitrophenyl)-6-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(1H)-Pyrimidinethione, 3,4-dihydro-4-(4-nitrophenyl)-6-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 2(1H)-Pyrimidinethione, 3,4-dihydro-4-(4-nitrophenyl)-6-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.