Mdl 20828
TL;DR: Mdl 20828 (CAS 98930-79-1) is a chemical compound with molecular formula C17H19N3O6S and molecular weight 393.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[1-hydroxy-3-(4-hydroxyphenyl)sulfinylpropan-2-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide
Also Known As: Mdl 20828, (E)-N-[1-hydroxy-3-(4-hydroxyphenyl)sulfinylpropan-2-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide, 2-Propenamide, N-(2-hydroxy-1-(((4-hydroxyphenyl)sulfinyl)methyl)ethyl)-3-(1,2,3,4-tetrahydro-6-methyl-2,4-dioxo-5-pyrimidinyl)-, RefChem:156126
| Molecular Formula | C17H19N3O6S |
|---|---|
| Molecular Weight | 393.10 g/mol |
| LogP | -0.62468 |
| Topological Polar Surface Area | 152.35 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 393.09946 |
| Heavy Atoms | 27 |
| Complexity | 977.3986 |
Chemical Identifiers
| CAS Number | 98930-79-1 |
|---|---|
| SMILES | CC1=C(C(=O)NC(=O)N1)/C=C/C(=O)NC(CO)CS(=O)C2=CC=C(C=C2)O |
Product Overview
Mdl 20828 (CAS 98930-79-1), with molecular formula C17H19N3O6S and molecular weight 393.10 g/mol. IUPAC: (E)-N-[1-hydroxy-3-(4-hydroxyphenyl)sulfinylpropan-2-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide.
Chemical Property Profile of Mdl 20828
Property Insights of Mdl 20828
The XLogP value of -0.62468 indicates that Mdl 20828 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 152.35 Ų indicates high polarity, suggesting Mdl 20828 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mdl 20828 has 5 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 Mdl 20828?
The CAS number of Mdl 20828 is 98930-79-1.
What is the molecular formula of Mdl 20828?
The molecular formula of Mdl 20828 is C17H19N3O6S.
What is the molecular weight of Mdl 20828?
The molecular weight of Mdl 20828 is 393.10 g/mol.
Where can I buy Mdl 20828?
You can request a quote for Mdl 20828 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mdl 20828?
Yes, KEHONG BIO provides custom synthesis services for Mdl 20828 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.