ethyl 4-[2-[(5-ethoxycarbonyl-2-methylsulfanylpyrimidin-4-yl
TL;DR: ethyl 4-[2-[(5-ethoxycarbonyl-2-methylsulfanylpyrimidin-4-yl (CAS 1177-17-9) is a chemical compound with molecular formula C18H24N6O4S2 and molecular weight 452.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-[(5-ethoxycarbonyl-2-methylsulfanylpyrimidin-4-yl)amino]ethylamino]-2-methylsulfanylpyrimidine-5-carboxylate
Also Known As: ethyl 4-[2-[(5-ethoxycarbonyl-2-methylsulfanylpyrimidin-4-yl, ethyl 4-[2-[(5-ethoxycarbonyl-2-methylsulfanylpyrimidin-4-yl)amino]ethylamino]-2-methylsulfanylpyrimidine-5-carboxylate, Diethyl 4,4'-(ethane-1,2-diyldiazanediyl)bis[2-(methylsulfanyl)pyrimidine-5-carboxylate], Diethyl 4,4'-[ethane-1,2-diylbis(azanediyl)]bis[2-(methylsulfanyl)pyrimidine-5-carboxylate]
| Molecular Formula | C18H24N6O4S2 |
|---|---|
| Molecular Weight | 452.13 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 179.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 452.13004 |
| Heavy Atoms | 30 |
| Complexity | 501.0 |
Chemical Identifiers
| CAS Number | 1177-17-9 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1NCCNC2=NC(=NC=C2C(=O)OCC)SC)SC |
| InChIKey | BIQZLZUXHNMZIE-UHFFFAOYSA-N |
Product Overview
ethyl 4-[2-[(5-ethoxycarbonyl-2-methylsulfanylpyrimidin-4-yl (CAS 1177-17-9), with molecular formula C18H24N6O4S2 and molecular weight 452.13 g/mol. IUPAC: ethyl 4-[2-[(5-ethoxycarbonyl-2-methylsulfanylpyrimidin-4-yl)amino]ethylamino]-2-methylsulfanylpyrimidine-5-carboxylate.
Chemical Property Profile of ethyl 4-[2-[(5-ethoxycarbonyl-2-methylsulfanylpyrimidin-4-yl
Property Insights of ethyl 4-[2-[(5-ethoxycarbonyl-2-methylsulfanylpyrimidin-4-yl
The XLogP value of 4.0 indicates that ethyl 4-[2-[(5-ethoxycarbonyl-2-methylsulfanylpyrimidin-4-yl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 179.0 Ų indicates high polarity, suggesting ethyl 4-[2-[(5-ethoxycarbonyl-2-methylsulfanylpyrimidin-4-yl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl 4-[2-[(5-ethoxycarbonyl-2-methylsulfanylpyrimidin-4-yl has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 4-[2-[(5-ethoxycarbonyl-2-methylsulfanylpyrimidin-4-yl?
The CAS number of ethyl 4-[2-[(5-ethoxycarbonyl-2-methylsulfanylpyrimidin-4-yl is 1177-17-9.
What is the molecular formula of ethyl 4-[2-[(5-ethoxycarbonyl-2-methylsulfanylpyrimidin-4-yl?
The molecular formula of ethyl 4-[2-[(5-ethoxycarbonyl-2-methylsulfanylpyrimidin-4-yl is C18H24N6O4S2.
What is the molecular weight of ethyl 4-[2-[(5-ethoxycarbonyl-2-methylsulfanylpyrimidin-4-yl?
The molecular weight of ethyl 4-[2-[(5-ethoxycarbonyl-2-methylsulfanylpyrimidin-4-yl is 452.13 g/mol.
Where can I buy ethyl 4-[2-[(5-ethoxycarbonyl-2-methylsulfanylpyrimidin-4-yl?
You can request a quote for ethyl 4-[2-[(5-ethoxycarbonyl-2-methylsulfanylpyrimidin-4-yl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-[2-[(5-ethoxycarbonyl-2-methylsulfanylpyrimidin-4-yl?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[2-[(5-ethoxycarbonyl-2-methylsulfanylpyrimidin-4-yl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.