![4-[(2,4-Dichlorophenyl)methylsulfanyl]pyrimidin-2-amine structure](/static/products/104/104116-16-7.png)
4-[(2,4-Dichlorophenyl)methylsulfanyl]pyrimidin-2-amine
TL;DR: 4-[(2,4-Dichlorophenyl)methylsulfanyl]pyrimidin-2-amine (CAS 104116-16-7) is a chemical compound with molecular formula C11H9Cl2N3S and molecular weight 284.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,4-dichlorophenyl)methylsulfanyl]pyrimidin-2-amine
Also Known As: 4-(2,4-dichloro-benzylsulfanyl)-pyrimidin-2-ylamine, 4-[(2,4-dichlorobenzyl)sulfanyl]pyrimidin-2-amine, 4-[(2,4-dichlorophenyl)methylsulfanyl]pyrimidin-2-amine
| Molecular Formula | C11H9Cl2N3S |
|---|---|
| Molecular Weight | 284.99 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.9894 |
| Heavy Atoms | 17 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 104116-16-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)CSC2=NC(=NC=C2)N |
| InChIKey | KZAWSERZQNRQDC-UHFFFAOYSA-N |
Product Overview
4-[(2,4-Dichlorophenyl)methylsulfanyl]pyrimidin-2-amine (CAS 104116-16-7), with molecular formula C11H9Cl2N3S and molecular weight 284.99 g/mol. IUPAC: 4-[(2,4-dichlorophenyl)methylsulfanyl]pyrimidin-2-amine.
Chemical Property Profile of 4-[(2,4-Dichlorophenyl)methylsulfanyl]pyrimidin-2-amine
Property Insights of 4-[(2,4-Dichlorophenyl)methylsulfanyl]pyrimidin-2-amine
The XLogP value of 3.4 indicates that 4-[(2,4-Dichlorophenyl)methylsulfanyl]pyrimidin-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2,4-Dichlorophenyl)methylsulfanyl]pyrimidin-2-amine. Following Lipinski's Rule of Five, 4-[(2,4-Dichlorophenyl)methylsulfanyl]pyrimidin-2-amine has 1 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-[(2,4-Dichlorophenyl)methylsulfanyl]pyrimidin-2-amine?
The CAS number of 4-[(2,4-Dichlorophenyl)methylsulfanyl]pyrimidin-2-amine is 104116-16-7.
What is the molecular formula of 4-[(2,4-Dichlorophenyl)methylsulfanyl]pyrimidin-2-amine?
The molecular formula of 4-[(2,4-Dichlorophenyl)methylsulfanyl]pyrimidin-2-amine is C11H9Cl2N3S.
What is the molecular weight of 4-[(2,4-Dichlorophenyl)methylsulfanyl]pyrimidin-2-amine?
The molecular weight of 4-[(2,4-Dichlorophenyl)methylsulfanyl]pyrimidin-2-amine is 284.99 g/mol.
Where can I buy 4-[(2,4-Dichlorophenyl)methylsulfanyl]pyrimidin-2-amine?
You can request a quote for 4-[(2,4-Dichlorophenyl)methylsulfanyl]pyrimidin-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2,4-Dichlorophenyl)methylsulfanyl]pyrimidin-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2,4-Dichlorophenyl)methylsulfanyl]pyrimidin-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.