(4-cyanophenyl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate
TL;DR: (4-cyanophenyl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate (CAS 848299-47-8) is a chemical compound with molecular formula C18H19N3O2S and molecular weight 341.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-cyanophenyl)methyl 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate
Also Known As: (4-cyanophenyl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate, (4-cyanophenyl)methyl 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate, (4-cyanophenyl)methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate
| Molecular Formula | C18H19N3O2S |
|---|---|
| Molecular Weight | 341.12 g/mol |
| LogP | 3.36302 |
| Topological Polar Surface Area | 75.87 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 341.1198 |
| Heavy Atoms | 24 |
| Complexity | 743.8187 |
Chemical Identifiers
| CAS Number | 848299-47-8 |
|---|---|
| SMILES | CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC2=CC=C(C=C2)C#N |
Product Overview
(4-cyanophenyl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate (CAS 848299-47-8), with molecular formula C18H19N3O2S and molecular weight 341.12 g/mol. IUPAC: (4-cyanophenyl)methyl 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate.
Chemical Property Profile of (4-cyanophenyl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate
Property Insights of (4-cyanophenyl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate
The XLogP value of 3.36302 indicates that (4-cyanophenyl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.87 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-cyanophenyl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate. Following Lipinski's Rule of Five, (4-cyanophenyl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate has 0 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 (4-cyanophenyl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate?
The CAS number of (4-cyanophenyl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate is 848299-47-8.
What is the molecular formula of (4-cyanophenyl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate?
The molecular formula of (4-cyanophenyl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate is C18H19N3O2S.
What is the molecular weight of (4-cyanophenyl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate?
The molecular weight of (4-cyanophenyl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate is 341.12 g/mol.
Where can I buy (4-cyanophenyl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate?
You can request a quote for (4-cyanophenyl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-cyanophenyl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (4-cyanophenyl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.