Ethanone, 1-(4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxyphenyl)-2-(methylsulfonyl)-, monohydrochloride
TL;DR: Ethanone, 1-(4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxyphenyl)-2-(methylsulfonyl)-, monohydrochloride (CAS 55687-75-7) is a chemical compound with molecular formula C16H21ClN4O5S and molecular weight 416.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenyl]-2-methylsulfonylethanone;hydrochloride
Also Known As: Ethanone, 1-(4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxyphenyl)-2-(methylsulfonyl)-, monohydrochloride, 4'-((2,4-Diamino-5-(pyrimidinyl)methyl)-2',6'-dimethoxy-2-methylsulfonyl)acetophenone HCl, 1-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenyl]-2-methylsulfonylethanone hydrochloride, 1-{4-[(2,4-Diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenyl}-2-(methanesulfonyl)ethan-1-one--hydrogen chloride (1/1), RefChem:341155
| Molecular Formula | C16H21ClN4O5S |
|---|---|
| Molecular Weight | 416.09 g/mol |
| LogP | 0.8981 |
| Topological Polar Surface Area | 147.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.09213 |
| Heavy Atoms | 27 |
| Complexity | 924.8171 |
Chemical Identifiers
| CAS Number | 55687-75-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1C(=O)CS(=O)(=O)C)OC)CC2=CN=C(N=C2N)N.Cl |
Product Overview
Ethanone, 1-(4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxyphenyl)-2-(methylsulfonyl)-, monohydrochloride (CAS 55687-75-7), with molecular formula C16H21ClN4O5S and molecular weight 416.09 g/mol. IUPAC: 1-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenyl]-2-methylsulfonylethanone;hydrochloride.
Chemical Property Profile of Ethanone, 1-(4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxyphenyl)-2-(methylsulfonyl)-, monohydrochloride
Property Insights of Ethanone, 1-(4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxyphenyl)-2-(methylsulfonyl)-, monohydrochloride
The XLogP value of 0.8981 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 1-(4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxyphenyl)-2-(methylsulfonyl)-, monohydrochloride. The TPSA of 147.49 Ų indicates high polarity, suggesting Ethanone, 1-(4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxyphenyl)-2-(methylsulfonyl)-, monohydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethanone, 1-(4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxyphenyl)-2-(methylsulfonyl)-, monohydrochloride has 2 hydrogen bond donor(s) and 9 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 Ethanone, 1-(4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxyphenyl)-2-(methylsulfonyl)-, monohydrochloride?
The CAS number of Ethanone, 1-(4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxyphenyl)-2-(methylsulfonyl)-, monohydrochloride is 55687-75-7.
What is the molecular formula of Ethanone, 1-(4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxyphenyl)-2-(methylsulfonyl)-, monohydrochloride?
The molecular formula of Ethanone, 1-(4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxyphenyl)-2-(methylsulfonyl)-, monohydrochloride is C16H21ClN4O5S.
What is the molecular weight of Ethanone, 1-(4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxyphenyl)-2-(methylsulfonyl)-, monohydrochloride?
The molecular weight of Ethanone, 1-(4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxyphenyl)-2-(methylsulfonyl)-, monohydrochloride is 416.09 g/mol.
Where can I buy Ethanone, 1-(4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxyphenyl)-2-(methylsulfonyl)-, monohydrochloride?
You can request a quote for Ethanone, 1-(4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxyphenyl)-2-(methylsulfonyl)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-(4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxyphenyl)-2-(methylsulfonyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-(4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxyphenyl)-2-(methylsulfonyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.