5-Benzyl-2-(2-diethylamino-ethylsulfanyl)-6-hydroxy-3H-pyrimidin-4-one
TL;DR: 5-Benzyl-2-(2-diethylamino-ethylsulfanyl)-6-hydroxy-3H-pyrimidin-4-one (CAS 423739-85-9) is a chemical compound with molecular formula C17H23N3O2S and molecular weight 333.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-2-[2-(diethylamino)ethylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one
Also Known As: BAS 01811597, BIM-0039613.P001, 5-benzyl-2-((2-(diethylamino)ethyl)thio)-6-hydroxypyrimidin-4(3H)-one, 5-Benzyl-2-(2-diethylamino-ethylsulfanyl)-6-hydroxy-3H-pyrimidin-4-one, 5-benzyl-2-{[2-(diethylamino)ethyl]sulfanyl}pyrimidine-4,6-diol
| Molecular Formula | C17H23N3O2S |
|---|---|
| Molecular Weight | 333.15 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 90.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 333.1511 |
| Heavy Atoms | 23 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 423739-85-9 |
|---|---|
| SMILES | CCN(CC)CCSC1=NC(=C(C(=O)N1)CC2=CC=CC=C2)O |
| InChIKey | WVWYPFZOFUPQHW-UHFFFAOYSA-N |
Product Overview
5-Benzyl-2-(2-diethylamino-ethylsulfanyl)-6-hydroxy-3H-pyrimidin-4-one (CAS 423739-85-9), with molecular formula C17H23N3O2S and molecular weight 333.15 g/mol. IUPAC: 5-benzyl-2-[2-(diethylamino)ethylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one.
Chemical Property Profile of 5-Benzyl-2-(2-diethylamino-ethylsulfanyl)-6-hydroxy-3H-pyrimidin-4-one
Property Insights of 5-Benzyl-2-(2-diethylamino-ethylsulfanyl)-6-hydroxy-3H-pyrimidin-4-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Benzyl-2-(2-diethylamino-ethylsulfanyl)-6-hydroxy-3H-pyrimidin-4-one. The TPSA of 90.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzyl-2-(2-diethylamino-ethylsulfanyl)-6-hydroxy-3H-pyrimidin-4-one. Following Lipinski's Rule of Five, 5-Benzyl-2-(2-diethylamino-ethylsulfanyl)-6-hydroxy-3H-pyrimidin-4-one has 2 hydrogen bond donor(s) and 5 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 5-Benzyl-2-(2-diethylamino-ethylsulfanyl)-6-hydroxy-3H-pyrimidin-4-one?
The CAS number of 5-Benzyl-2-(2-diethylamino-ethylsulfanyl)-6-hydroxy-3H-pyrimidin-4-one is 423739-85-9.
What is the molecular formula of 5-Benzyl-2-(2-diethylamino-ethylsulfanyl)-6-hydroxy-3H-pyrimidin-4-one?
The molecular formula of 5-Benzyl-2-(2-diethylamino-ethylsulfanyl)-6-hydroxy-3H-pyrimidin-4-one is C17H23N3O2S.
What is the molecular weight of 5-Benzyl-2-(2-diethylamino-ethylsulfanyl)-6-hydroxy-3H-pyrimidin-4-one?
The molecular weight of 5-Benzyl-2-(2-diethylamino-ethylsulfanyl)-6-hydroxy-3H-pyrimidin-4-one is 333.15 g/mol.
Where can I buy 5-Benzyl-2-(2-diethylamino-ethylsulfanyl)-6-hydroxy-3H-pyrimidin-4-one?
You can request a quote for 5-Benzyl-2-(2-diethylamino-ethylsulfanyl)-6-hydroxy-3H-pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzyl-2-(2-diethylamino-ethylsulfanyl)-6-hydroxy-3H-pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzyl-2-(2-diethylamino-ethylsulfanyl)-6-hydroxy-3H-pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.