2-Benzylsulfanyl-4-chloro-6-diethoxymethyl-pyrimidine
TL;DR: 2-Benzylsulfanyl-4-chloro-6-diethoxymethyl-pyrimidine (CAS 525559-14-2) is a chemical compound with molecular formula C16H19ClN2O2S and molecular weight 338.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-4-chloro-6-(diethoxymethyl)pyrimidine
Also Known As: 2-Benzylsulfanyl-4-chloro-6-diethoxymethyl-pyrimidine, 2-Methoxy-6-nitrobenzoic Acid, 2-benzylsulfanyl-4-chloro-6-(diethoxymethyl)pyrimidine, 2-(Benzylthio)-4-chloro-6-(diethoxymethyl)pyrimidine, 2-(benzylsulfanyl)-4-chloro-6-(diethoxymethyl)pyrimidine
| Molecular Formula | C16H19ClN2O2S |
|---|---|
| Molecular Weight | 338.09 g/mol |
| LogP | 4.4939 |
| Topological Polar Surface Area | 44.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 338.08557 |
| Heavy Atoms | 22 |
| Complexity | 577.6134 |
Chemical Identifiers
| CAS Number | 525559-14-2 |
|---|---|
| SMILES | CCOC(C1=CC(=NC(=N1)SCC2=CC=CC=C2)Cl)OCC |
Product Overview
2-Benzylsulfanyl-4-chloro-6-diethoxymethyl-pyrimidine (CAS 525559-14-2), with molecular formula C16H19ClN2O2S and molecular weight 338.09 g/mol. IUPAC: 2-benzylsulfanyl-4-chloro-6-(diethoxymethyl)pyrimidine.
Chemical Property Profile of 2-Benzylsulfanyl-4-chloro-6-diethoxymethyl-pyrimidine
Property Insights of 2-Benzylsulfanyl-4-chloro-6-diethoxymethyl-pyrimidine
The XLogP value of 4.4939 indicates that 2-Benzylsulfanyl-4-chloro-6-diethoxymethyl-pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.24 Ų, 2-Benzylsulfanyl-4-chloro-6-diethoxymethyl-pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzylsulfanyl-4-chloro-6-diethoxymethyl-pyrimidine has 0 hydrogen bond donor(s) and 5 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-Benzylsulfanyl-4-chloro-6-diethoxymethyl-pyrimidine?
The CAS number of 2-Benzylsulfanyl-4-chloro-6-diethoxymethyl-pyrimidine is 525559-14-2.
What is the molecular formula of 2-Benzylsulfanyl-4-chloro-6-diethoxymethyl-pyrimidine?
The molecular formula of 2-Benzylsulfanyl-4-chloro-6-diethoxymethyl-pyrimidine is C16H19ClN2O2S.
What is the molecular weight of 2-Benzylsulfanyl-4-chloro-6-diethoxymethyl-pyrimidine?
The molecular weight of 2-Benzylsulfanyl-4-chloro-6-diethoxymethyl-pyrimidine is 338.09 g/mol.
Where can I buy 2-Benzylsulfanyl-4-chloro-6-diethoxymethyl-pyrimidine?
You can request a quote for 2-Benzylsulfanyl-4-chloro-6-diethoxymethyl-pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzylsulfanyl-4-chloro-6-diethoxymethyl-pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzylsulfanyl-4-chloro-6-diethoxymethyl-pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.