![[(3,4-dimethylphenyl)carbamoyl]methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate structure](/static/products/848/848299-69-4.png)
[(3,4-dimethylphenyl)carbamoyl]methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate
TL;DR: [(3,4-dimethylphenyl)carbamoyl]methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate (CAS 848299-69-4) is a chemical compound with molecular formula C20H25N3O3S and molecular weight 387.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3,4-dimethylanilino)-2-oxoethyl] 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate
Also Known As: [(3,4-dimethylphenyl)carbamoyl]methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate|[2-(3,4-dimethylanilino)-2-oxoethyl] 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate|EN300-26598132
| Molecular Formula | C20H25N3O3S |
|---|---|
| Molecular Weight | 387.16 g/mol |
| LogP | 3.54668 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 387.16165 |
| Heavy Atoms | 27 |
| Complexity | 829.35583 |
Chemical Identifiers
| CAS Number | 848299-69-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)COC(=O)CCC2=C(N=C(N=C2C)SC)C)C |
Product Overview
[(3,4-dimethylphenyl)carbamoyl]methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate (CAS 848299-69-4), with molecular formula C20H25N3O3S and molecular weight 387.16 g/mol. IUPAC: [2-(3,4-dimethylanilino)-2-oxoethyl] 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate.
Chemical Property Profile of [(3,4-dimethylphenyl)carbamoyl]methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate
Property Insights of [(3,4-dimethylphenyl)carbamoyl]methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate
The XLogP value of 3.54668 indicates that [(3,4-dimethylphenyl)carbamoyl]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 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for [(3,4-dimethylphenyl)carbamoyl]methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate. Following Lipinski's Rule of Five, [(3,4-dimethylphenyl)carbamoyl]methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate 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 [(3,4-dimethylphenyl)carbamoyl]methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate?
The CAS number of [(3,4-dimethylphenyl)carbamoyl]methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate is 848299-69-4.
What is the molecular formula of [(3,4-dimethylphenyl)carbamoyl]methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate?
The molecular formula of [(3,4-dimethylphenyl)carbamoyl]methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate is C20H25N3O3S.
What is the molecular weight of [(3,4-dimethylphenyl)carbamoyl]methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate?
The molecular weight of [(3,4-dimethylphenyl)carbamoyl]methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate is 387.16 g/mol.
Where can I buy [(3,4-dimethylphenyl)carbamoyl]methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate?
You can request a quote for [(3,4-dimethylphenyl)carbamoyl]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 [(3,4-dimethylphenyl)carbamoyl]methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for [(3,4-dimethylphenyl)carbamoyl]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.