2-({2,4-Bisnitrophenyl}sulfanyl)-4-methylpyrimidine
TL;DR: 2-({2,4-Bisnitrophenyl}sulfanyl)-4-methylpyrimidine (CAS 71160-32-2) is a chemical compound with molecular formula C11H8N4O4S and molecular weight 292.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dinitrophenyl)sulfanyl-4-methylpyrimidine
Also Known As: 2-({2,4-bisnitrophenyl}sulfanyl)-4-methylpyrimidine, 2-(2,4-dinitrophenyl)sulfanyl-4-methylpyrimidine, 2-[(2,4-Dinitrophenyl)thio]-4-methylpyrimidine, AJ-333/09215047, Pyrimidine, 2-[(2,4-dinitrophenyl)thio]-4-methyl-
| Molecular Formula | C11H8N4O4S |
|---|---|
| Molecular Weight | 292.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 292.0266 |
| Heavy Atoms | 20 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 71160-32-2 |
|---|---|
| SMILES | CC1=NC(=NC=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | ZYDWRNHCAYNNMW-UHFFFAOYSA-N |
Product Overview
2-({2,4-Bisnitrophenyl}sulfanyl)-4-methylpyrimidine (CAS 71160-32-2), with molecular formula C11H8N4O4S and molecular weight 292.03 g/mol. IUPAC: 2-(2,4-dinitrophenyl)sulfanyl-4-methylpyrimidine.
Chemical Property Profile of 2-({2,4-Bisnitrophenyl}sulfanyl)-4-methylpyrimidine
Property Insights of 2-({2,4-Bisnitrophenyl}sulfanyl)-4-methylpyrimidine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-({2,4-Bisnitrophenyl}sulfanyl)-4-methylpyrimidine. The TPSA of 143.0 Ų indicates high polarity, suggesting 2-({2,4-Bisnitrophenyl}sulfanyl)-4-methylpyrimidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-({2,4-Bisnitrophenyl}sulfanyl)-4-methylpyrimidine has 0 hydrogen bond donor(s) and 7 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-({2,4-Bisnitrophenyl}sulfanyl)-4-methylpyrimidine?
The CAS number of 2-({2,4-Bisnitrophenyl}sulfanyl)-4-methylpyrimidine is 71160-32-2.
What is the molecular formula of 2-({2,4-Bisnitrophenyl}sulfanyl)-4-methylpyrimidine?
The molecular formula of 2-({2,4-Bisnitrophenyl}sulfanyl)-4-methylpyrimidine is C11H8N4O4S.
What is the molecular weight of 2-({2,4-Bisnitrophenyl}sulfanyl)-4-methylpyrimidine?
The molecular weight of 2-({2,4-Bisnitrophenyl}sulfanyl)-4-methylpyrimidine is 292.03 g/mol.
Where can I buy 2-({2,4-Bisnitrophenyl}sulfanyl)-4-methylpyrimidine?
You can request a quote for 2-({2,4-Bisnitrophenyl}sulfanyl)-4-methylpyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({2,4-Bisnitrophenyl}sulfanyl)-4-methylpyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-({2,4-Bisnitrophenyl}sulfanyl)-4-methylpyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.