6-Amino-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1-prop-2-enylpyrimidin-4-one
TL;DR: 6-Amino-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1-prop-2-enylpyrimidin-4-one (CAS 496018-11-2) is a chemical compound with molecular formula C21H18N4O2S2 and molecular weight 422.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1-prop-2-enylpyrimidin-4-one
Also Known As: ChemDiv2_004514, CBKinase1_003437, CBKinase1_015837, IDI1_003229, BRD-K91928880-001-01-0
| Molecular Formula | C21H18N4O2S2 |
|---|---|
| Molecular Weight | 422.09 g/mol |
| LogP | 3.9331 |
| Topological Polar Surface Area | 81.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.08713 |
| Heavy Atoms | 29 |
| Complexity | 1113.9132 |
Chemical Identifiers
| CAS Number | 496018-11-2 |
|---|---|
| SMILES | C=CCN1C(=CC(=O)N=C1SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)N |
Product Overview
6-Amino-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1-prop-2-enylpyrimidin-4-one (CAS 496018-11-2), with molecular formula C21H18N4O2S2 and molecular weight 422.09 g/mol. IUPAC: 6-amino-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1-prop-2-enylpyrimidin-4-one.
Chemical Property Profile of 6-Amino-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1-prop-2-enylpyrimidin-4-one
Property Insights of 6-Amino-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1-prop-2-enylpyrimidin-4-one
The XLogP value of 3.9331 indicates that 6-Amino-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1-prop-2-enylpyrimidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Amino-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1-prop-2-enylpyrimidin-4-one. Following Lipinski's Rule of Five, 6-Amino-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1-prop-2-enylpyrimidin-4-one has 1 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 6-Amino-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1-prop-2-enylpyrimidin-4-one?
The CAS number of 6-Amino-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1-prop-2-enylpyrimidin-4-one is 496018-11-2.
What is the molecular formula of 6-Amino-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1-prop-2-enylpyrimidin-4-one?
The molecular formula of 6-Amino-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1-prop-2-enylpyrimidin-4-one is C21H18N4O2S2.
What is the molecular weight of 6-Amino-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1-prop-2-enylpyrimidin-4-one?
The molecular weight of 6-Amino-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1-prop-2-enylpyrimidin-4-one is 422.09 g/mol.
Where can I buy 6-Amino-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1-prop-2-enylpyrimidin-4-one?
You can request a quote for 6-Amino-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1-prop-2-enylpyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Amino-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1-prop-2-enylpyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Amino-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1-prop-2-enylpyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.