Glycine, N-(4-((2-(bis(1-methylethyl)amino)ethyl)amino)-6-chloro-5-(methylthio)-2-pyrimidinyl)-N-methyl, ethyl ester, monohydrobromide
TL;DR: Glycine, N-(4-((2-(bis(1-methylethyl)amino)ethyl)amino)-6-chloro-5-(methylthio)-2-pyrimidinyl)-N-methyl, ethyl ester, monohydrobromide (CAS 55417-04-4) is a chemical compound with molecular formula C18H33BrClN5O2S and molecular weight 497.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-chloro-6-[2-[di(propan-2-yl)amino]ethylamino]-5-methylsulfanylpyrimidin-2-yl]-methylamino]acetate;hydrobromide
Also Known As: Glycine, N-(4-((2-(bis(1-methylethyl)amino)ethyl)amino)-6-chloro-5-(methylthio)-2-pyrimidinyl)-N-methyl, ethyl ester, monohydrobromide, ethyl 2-[[4-chloro-6-[2-[di(propan-2-yl)amino]ethylamino]-5-methylsulfanylpyrimidin-2-yl]-methylamino]acetate hydrobromide, Ethyl N-[4-chloro-6-({2-[di(propan-2-yl)amino]ethyl}amino)-5-(methylsulfanyl)pyrimidin-2-yl]-N-methylglycinate--hydrogen bromide (1/1), RefChem:346493
| Molecular Formula | C18H33BrClN5O2S |
|---|---|
| Molecular Weight | 497.12 g/mol |
| LogP | 3.9598 |
| Topological Polar Surface Area | 70.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 497.12268 |
| Heavy Atoms | 28 |
| Complexity | 613.8839 |
Chemical Identifiers
| CAS Number | 55417-04-4 |
|---|---|
| SMILES | CCOC(=O)CN(C)C1=NC(=C(C(=N1)Cl)SC)NCCN(C(C)C)C(C)C.Br |
Product Overview
Glycine, N-(4-((2-(bis(1-methylethyl)amino)ethyl)amino)-6-chloro-5-(methylthio)-2-pyrimidinyl)-N-methyl, ethyl ester, monohydrobromide (CAS 55417-04-4), with molecular formula C18H33BrClN5O2S and molecular weight 497.12 g/mol. IUPAC: ethyl 2-[[4-chloro-6-[2-[di(propan-2-yl)amino]ethylamino]-5-methylsulfanylpyrimidin-2-yl]-methylamino]acetate;hydrobromide.
Chemical Property Profile of Glycine, N-(4-((2-(bis(1-methylethyl)amino)ethyl)amino)-6-chloro-5-(methylthio)-2-pyrimidinyl)-N-methyl, ethyl ester, monohydrobromide
Property Insights of Glycine, N-(4-((2-(bis(1-methylethyl)amino)ethyl)amino)-6-chloro-5-(methylthio)-2-pyrimidinyl)-N-methyl, ethyl ester, monohydrobromide
The XLogP value of 3.9598 indicates that Glycine, N-(4-((2-(bis(1-methylethyl)amino)ethyl)amino)-6-chloro-5-(methylthio)-2-pyrimidinyl)-N-methyl, ethyl ester, monohydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.59 Ų falls within the moderate polarity range, balancing permeability and solubility for Glycine, N-(4-((2-(bis(1-methylethyl)amino)ethyl)amino)-6-chloro-5-(methylthio)-2-pyrimidinyl)-N-methyl, ethyl ester, monohydrobromide. Following Lipinski's Rule of Five, Glycine, N-(4-((2-(bis(1-methylethyl)amino)ethyl)amino)-6-chloro-5-(methylthio)-2-pyrimidinyl)-N-methyl, ethyl ester, monohydrobromide has 1 hydrogen bond donor(s) and 8 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 Glycine, N-(4-((2-(bis(1-methylethyl)amino)ethyl)amino)-6-chloro-5-(methylthio)-2-pyrimidinyl)-N-methyl, ethyl ester, monohydrobromide?
The CAS number of Glycine, N-(4-((2-(bis(1-methylethyl)amino)ethyl)amino)-6-chloro-5-(methylthio)-2-pyrimidinyl)-N-methyl, ethyl ester, monohydrobromide is 55417-04-4.
What is the molecular formula of Glycine, N-(4-((2-(bis(1-methylethyl)amino)ethyl)amino)-6-chloro-5-(methylthio)-2-pyrimidinyl)-N-methyl, ethyl ester, monohydrobromide?
The molecular formula of Glycine, N-(4-((2-(bis(1-methylethyl)amino)ethyl)amino)-6-chloro-5-(methylthio)-2-pyrimidinyl)-N-methyl, ethyl ester, monohydrobromide is C18H33BrClN5O2S.
What is the molecular weight of Glycine, N-(4-((2-(bis(1-methylethyl)amino)ethyl)amino)-6-chloro-5-(methylthio)-2-pyrimidinyl)-N-methyl, ethyl ester, monohydrobromide?
The molecular weight of Glycine, N-(4-((2-(bis(1-methylethyl)amino)ethyl)amino)-6-chloro-5-(methylthio)-2-pyrimidinyl)-N-methyl, ethyl ester, monohydrobromide is 497.12 g/mol.
Where can I buy Glycine, N-(4-((2-(bis(1-methylethyl)amino)ethyl)amino)-6-chloro-5-(methylthio)-2-pyrimidinyl)-N-methyl, ethyl ester, monohydrobromide?
You can request a quote for Glycine, N-(4-((2-(bis(1-methylethyl)amino)ethyl)amino)-6-chloro-5-(methylthio)-2-pyrimidinyl)-N-methyl, ethyl ester, monohydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glycine, N-(4-((2-(bis(1-methylethyl)amino)ethyl)amino)-6-chloro-5-(methylthio)-2-pyrimidinyl)-N-methyl, ethyl ester, monohydrobromide?
Yes, KEHONG BIO provides custom synthesis services for Glycine, N-(4-((2-(bis(1-methylethyl)amino)ethyl)amino)-6-chloro-5-(methylthio)-2-pyrimidinyl)-N-methyl, ethyl ester, monohydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.