BAS 02788869
TL;DR: BAS 02788869 (CAS 78927-69-2) is a chemical compound with molecular formula C17H20N2O4S and molecular weight 348.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(5-acetyl-2-propoxyphenyl)methyl]-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one
Also Known As: BAS 02788869, AJ-292/37102011, 1-(3-{[4,6-dihydroxy-2-(methylsulfanyl)-5-pyrimidinyl]methyl}-4-propoxyphenyl)ethanone, 5-[(5-acetyl-2-propoxyphenyl)methyl]-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one, 1-(3-((4,6-dihydroxy-2-(methylthio)pyrimidin-5-yl)methyl)-4-propoxyphenyl)ethanone
| Molecular Formula | C17H20N2O4S |
|---|---|
| Molecular Weight | 348.11 g/mol |
| LogP | 2.7796 |
| Topological Polar Surface Area | 92.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 348.11438 |
| Heavy Atoms | 24 |
| Complexity | 801.6629 |
Chemical Identifiers
| CAS Number | 78927-69-2 |
|---|---|
| SMILES | CCCOC1=C(C=C(C=C1)C(=O)C)CC2=C(N=C(NC2=O)SC)O |
Product Overview
BAS 02788869 (CAS 78927-69-2), with molecular formula C17H20N2O4S and molecular weight 348.11 g/mol. IUPAC: 5-[(5-acetyl-2-propoxyphenyl)methyl]-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one.
Chemical Property Profile of BAS 02788869
Property Insights of BAS 02788869
The XLogP value of 2.7796 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02788869. The TPSA of 92.28 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02788869. Following Lipinski's Rule of Five, BAS 02788869 has 2 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 BAS 02788869?
The CAS number of BAS 02788869 is 78927-69-2.
What is the molecular formula of BAS 02788869?
The molecular formula of BAS 02788869 is C17H20N2O4S.
What is the molecular weight of BAS 02788869?
The molecular weight of BAS 02788869 is 348.11 g/mol.
Where can I buy BAS 02788869?
You can request a quote for BAS 02788869 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02788869?
Yes, KEHONG BIO provides custom synthesis services for BAS 02788869 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.