ethyl 4-amino-2-((2-(2-methyl-1H-indol-3-yl)-2-oxoethyl)thio)pyrimidine-5-carboxylate
TL;DR: ethyl 4-amino-2-((2-(2-methyl-1H-indol-3-yl)-2-oxoethyl)thio)pyrimidine-5-carboxylate (CAS 846581-51-9) is a chemical compound with molecular formula C18H18N4O3S and molecular weight 370.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate
Also Known As: ethyl 4-amino-2-((2-(2-methyl-1H-indol-3-yl)-2-oxoethyl)thio)pyrimidine-5-carboxylate, ethyl 4-amino-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate, ethyl 4-amino-2-{[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
| Molecular Formula | C18H18N4O3S |
|---|---|
| Molecular Weight | 370.11 g/mol |
| LogP | 3.00022 |
| Topological Polar Surface Area | 110.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 370.10995 |
| Heavy Atoms | 26 |
| Complexity | 983.7267 |
Chemical Identifiers
| CAS Number | 846581-51-9 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1N)SCC(=O)C2=C(NC3=CC=CC=C32)C |
Product Overview
ethyl 4-amino-2-((2-(2-methyl-1H-indol-3-yl)-2-oxoethyl)thio)pyrimidine-5-carboxylate (CAS 846581-51-9), with molecular formula C18H18N4O3S and molecular weight 370.11 g/mol. IUPAC: ethyl 4-amino-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate.
Chemical Property Profile of ethyl 4-amino-2-((2-(2-methyl-1H-indol-3-yl)-2-oxoethyl)thio)pyrimidine-5-carboxylate
Property Insights of ethyl 4-amino-2-((2-(2-methyl-1H-indol-3-yl)-2-oxoethyl)thio)pyrimidine-5-carboxylate
The XLogP value of 3.00022 indicates that ethyl 4-amino-2-((2-(2-methyl-1H-indol-3-yl)-2-oxoethyl)thio)pyrimidine-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.96 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-amino-2-((2-(2-methyl-1H-indol-3-yl)-2-oxoethyl)thio)pyrimidine-5-carboxylate. Following Lipinski's Rule of Five, ethyl 4-amino-2-((2-(2-methyl-1H-indol-3-yl)-2-oxoethyl)thio)pyrimidine-5-carboxylate has 2 hydrogen bond donor(s) and 7 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 ethyl 4-amino-2-((2-(2-methyl-1H-indol-3-yl)-2-oxoethyl)thio)pyrimidine-5-carboxylate?
The CAS number of ethyl 4-amino-2-((2-(2-methyl-1H-indol-3-yl)-2-oxoethyl)thio)pyrimidine-5-carboxylate is 846581-51-9.
What is the molecular formula of ethyl 4-amino-2-((2-(2-methyl-1H-indol-3-yl)-2-oxoethyl)thio)pyrimidine-5-carboxylate?
The molecular formula of ethyl 4-amino-2-((2-(2-methyl-1H-indol-3-yl)-2-oxoethyl)thio)pyrimidine-5-carboxylate is C18H18N4O3S.
What is the molecular weight of ethyl 4-amino-2-((2-(2-methyl-1H-indol-3-yl)-2-oxoethyl)thio)pyrimidine-5-carboxylate?
The molecular weight of ethyl 4-amino-2-((2-(2-methyl-1H-indol-3-yl)-2-oxoethyl)thio)pyrimidine-5-carboxylate is 370.11 g/mol.
Where can I buy ethyl 4-amino-2-((2-(2-methyl-1H-indol-3-yl)-2-oxoethyl)thio)pyrimidine-5-carboxylate?
You can request a quote for ethyl 4-amino-2-((2-(2-methyl-1H-indol-3-yl)-2-oxoethyl)thio)pyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-amino-2-((2-(2-methyl-1H-indol-3-yl)-2-oxoethyl)thio)pyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-amino-2-((2-(2-methyl-1H-indol-3-yl)-2-oxoethyl)thio)pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.