2-(2,4-Dinitro-phenylsulfanyl)-4,6-dimethyl-pyrimidine
TL;DR: 2-(2,4-Dinitro-phenylsulfanyl)-4,6-dimethyl-pyrimidine (CAS 55749-85-4) is a chemical compound with molecular formula C12H10N4O4S and molecular weight 306.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dinitrophenyl)sulfanyl-4,6-dimethylpyrimidine
Also Known As: BAS 00450539, 2-(2,4-Dinitro-phenylsulfanyl)-4,6-dimethyl-pyrimidine, 2-(2,4-dinitrophenyl)sulfanyl-4,6-dimethylpyrimidine, 2-[(2,4-dinitrophenyl)thio]-4,6-dimethylpyrimidine, AE-848/32608017
| Molecular Formula | C12H10N4O4S |
|---|---|
| Molecular Weight | 306.04 g/mol |
| LogP | 3.06104 |
| Topological Polar Surface Area | 112.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.04227 |
| Heavy Atoms | 21 |
| Complexity | 714.9425 |
Chemical Identifiers
| CAS Number | 55749-85-4 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C |
Product Overview
2-(2,4-Dinitro-phenylsulfanyl)-4,6-dimethyl-pyrimidine (CAS 55749-85-4), with molecular formula C12H10N4O4S and molecular weight 306.04 g/mol. IUPAC: 2-(2,4-dinitrophenyl)sulfanyl-4,6-dimethylpyrimidine.
Chemical Property Profile of 2-(2,4-Dinitro-phenylsulfanyl)-4,6-dimethyl-pyrimidine
Property Insights of 2-(2,4-Dinitro-phenylsulfanyl)-4,6-dimethyl-pyrimidine
The XLogP value of 3.06104 indicates that 2-(2,4-Dinitro-phenylsulfanyl)-4,6-dimethyl-pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,4-Dinitro-phenylsulfanyl)-4,6-dimethyl-pyrimidine. Following Lipinski's Rule of Five, 2-(2,4-Dinitro-phenylsulfanyl)-4,6-dimethyl-pyrimidine 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-Dinitro-phenylsulfanyl)-4,6-dimethyl-pyrimidine?
The CAS number of 2-(2,4-Dinitro-phenylsulfanyl)-4,6-dimethyl-pyrimidine is 55749-85-4.
What is the molecular formula of 2-(2,4-Dinitro-phenylsulfanyl)-4,6-dimethyl-pyrimidine?
The molecular formula of 2-(2,4-Dinitro-phenylsulfanyl)-4,6-dimethyl-pyrimidine is C12H10N4O4S.
What is the molecular weight of 2-(2,4-Dinitro-phenylsulfanyl)-4,6-dimethyl-pyrimidine?
The molecular weight of 2-(2,4-Dinitro-phenylsulfanyl)-4,6-dimethyl-pyrimidine is 306.04 g/mol.
Where can I buy 2-(2,4-Dinitro-phenylsulfanyl)-4,6-dimethyl-pyrimidine?
You can request a quote for 2-(2,4-Dinitro-phenylsulfanyl)-4,6-dimethyl-pyrimidine 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-Dinitro-phenylsulfanyl)-4,6-dimethyl-pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,4-Dinitro-phenylsulfanyl)-4,6-dimethyl-pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.