![6-Chloro-2-[(3-nitrophenyl)methylsulfanyl]pyrimidin-4-amine structure](/static/products/166/166751-72-0.png)
6-Chloro-2-[(3-nitrophenyl)methylsulfanyl]pyrimidin-4-amine
TL;DR: 6-Chloro-2-[(3-nitrophenyl)methylsulfanyl]pyrimidin-4-amine (CAS 166751-72-0) is a chemical compound with molecular formula C11H9ClN4O2S and molecular weight 296.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-2-[(3-nitrophenyl)methylsulfanyl]pyrimidin-4-amine
Also Known As: 6-chloro-2-[(3-nitrophenyl)methylsulfanyl]pyrimidin-4-amine, 4-Amino-6-chloro-2-(3-nitrophenylmethylthio)-pyrimidine
| Molecular Formula | C11H9ClN4O2S |
|---|---|
| Molecular Weight | 296.01 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.0135 |
| Heavy Atoms | 19 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 166751-72-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])CSC2=NC(=CC(=N2)Cl)N |
| InChIKey | ASXYCNFLYLWXDB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Chloro-2-[(3-nitrophenyl)methylsulfanyl]pyrimidin-4-amine (CAS 166751-72-0), with molecular formula C11H9ClN4O2S and molecular weight 296.01 g/mol. IUPAC: 6-chloro-2-[(3-nitrophenyl)methylsulfanyl]pyrimidin-4-amine.
Chemical Property Profile of 6-Chloro-2-[(3-nitrophenyl)methylsulfanyl]pyrimidin-4-amine
Property Insights of 6-Chloro-2-[(3-nitrophenyl)methylsulfanyl]pyrimidin-4-amine
The XLogP value of 3.0 indicates that 6-Chloro-2-[(3-nitrophenyl)methylsulfanyl]pyrimidin-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Chloro-2-[(3-nitrophenyl)methylsulfanyl]pyrimidin-4-amine. Following Lipinski's Rule of Five, 6-Chloro-2-[(3-nitrophenyl)methylsulfanyl]pyrimidin-4-amine has 1 hydrogen bond donor(s) and 6 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 6-Chloro-2-[(3-nitrophenyl)methylsulfanyl]pyrimidin-4-amine?
The CAS number of 6-Chloro-2-[(3-nitrophenyl)methylsulfanyl]pyrimidin-4-amine is 166751-72-0.
What is the molecular formula of 6-Chloro-2-[(3-nitrophenyl)methylsulfanyl]pyrimidin-4-amine?
The molecular formula of 6-Chloro-2-[(3-nitrophenyl)methylsulfanyl]pyrimidin-4-amine is C11H9ClN4O2S.
What is the molecular weight of 6-Chloro-2-[(3-nitrophenyl)methylsulfanyl]pyrimidin-4-amine?
The molecular weight of 6-Chloro-2-[(3-nitrophenyl)methylsulfanyl]pyrimidin-4-amine is 296.01 g/mol.
Where can I buy 6-Chloro-2-[(3-nitrophenyl)methylsulfanyl]pyrimidin-4-amine?
You can request a quote for 6-Chloro-2-[(3-nitrophenyl)methylsulfanyl]pyrimidin-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-2-[(3-nitrophenyl)methylsulfanyl]pyrimidin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-2-[(3-nitrophenyl)methylsulfanyl]pyrimidin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.