4-(Benzyloxy)-2-(benzylsulfanyl)pyrimidine
TL;DR: 4-(Benzyloxy)-2-(benzylsulfanyl)pyrimidine (CAS 84289-48-5) is a chemical compound with molecular formula C18H16N2OS and molecular weight 308.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-4-phenylmethoxypyrimidine
Also Known As: 2-benzylsulfanyl-4-phenylmethoxypyrimidine, 4'-methoxy-3-benzyl-4-chromanone, 4-(Benzyloxy)-2-(benzylsulfanyl)pyrimidine, Pyrimidine, 4-(phenylmethoxy)-2-[(phenylmethyl)thio]-
| Molecular Formula | C18H16N2OS |
|---|---|
| Molecular Weight | 308.10 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 60.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 308.09833 |
| Heavy Atoms | 22 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 84289-48-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=NC(=NC=C2)SCC3=CC=CC=C3 |
| InChIKey | ZIKYGEGJCPUQMO-UHFFFAOYSA-N |
Product Overview
4-(Benzyloxy)-2-(benzylsulfanyl)pyrimidine (CAS 84289-48-5), with molecular formula C18H16N2OS and molecular weight 308.10 g/mol. IUPAC: 2-benzylsulfanyl-4-phenylmethoxypyrimidine.
Chemical Property Profile of 4-(Benzyloxy)-2-(benzylsulfanyl)pyrimidine
Property Insights of 4-(Benzyloxy)-2-(benzylsulfanyl)pyrimidine
The XLogP value of 4.3 indicates that 4-(Benzyloxy)-2-(benzylsulfanyl)pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Benzyloxy)-2-(benzylsulfanyl)pyrimidine. Following Lipinski's Rule of Five, 4-(Benzyloxy)-2-(benzylsulfanyl)pyrimidine has 0 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-(Benzyloxy)-2-(benzylsulfanyl)pyrimidine?
The CAS number of 4-(Benzyloxy)-2-(benzylsulfanyl)pyrimidine is 84289-48-5.
What is the molecular formula of 4-(Benzyloxy)-2-(benzylsulfanyl)pyrimidine?
The molecular formula of 4-(Benzyloxy)-2-(benzylsulfanyl)pyrimidine is C18H16N2OS.
What is the molecular weight of 4-(Benzyloxy)-2-(benzylsulfanyl)pyrimidine?
The molecular weight of 4-(Benzyloxy)-2-(benzylsulfanyl)pyrimidine is 308.10 g/mol.
Where can I buy 4-(Benzyloxy)-2-(benzylsulfanyl)pyrimidine?
You can request a quote for 4-(Benzyloxy)-2-(benzylsulfanyl)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Benzyloxy)-2-(benzylsulfanyl)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzyloxy)-2-(benzylsulfanyl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.