3-(5-Butyl-4-hydroxy-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-propionic acid
TL;DR: 3-(5-Butyl-4-hydroxy-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-propionic acid (CAS 439126-38-2) is a chemical compound with molecular formula C11H16N2O4S and molecular weight 272.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoic acid
Also Known As: ChemDiv3_001171, BAS 01811614, IDI1_020137, BRD-K90256478-001-01-5, 3-(5-Butyl-4-hydroxy-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-propionic acid
| Molecular Formula | C11H16N2O4S |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | 1.3849 |
| Topological Polar Surface Area | 103.28 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 272.08307 |
| Heavy Atoms | 18 |
| Complexity | 472.6013 |
Chemical Identifiers
| CAS Number | 439126-38-2 |
|---|---|
| SMILES | CCCCC1=C(N=C(NC1=O)SCCC(=O)O)O |
Product Overview
3-(5-Butyl-4-hydroxy-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-propionic acid (CAS 439126-38-2), with molecular formula C11H16N2O4S and molecular weight 272.08 g/mol. IUPAC: 3-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoic acid.
Chemical Property Profile of 3-(5-Butyl-4-hydroxy-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-propionic acid
Property Insights of 3-(5-Butyl-4-hydroxy-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-propionic acid
The XLogP value of 1.3849 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-Butyl-4-hydroxy-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-propionic acid. The TPSA of 103.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-Butyl-4-hydroxy-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-propionic acid. Following Lipinski's Rule of Five, 3-(5-Butyl-4-hydroxy-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-propionic acid has 3 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 3-(5-Butyl-4-hydroxy-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-propionic acid?
The CAS number of 3-(5-Butyl-4-hydroxy-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-propionic acid is 439126-38-2.
What is the molecular formula of 3-(5-Butyl-4-hydroxy-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-propionic acid?
The molecular formula of 3-(5-Butyl-4-hydroxy-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-propionic acid is C11H16N2O4S.
What is the molecular weight of 3-(5-Butyl-4-hydroxy-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-propionic acid?
The molecular weight of 3-(5-Butyl-4-hydroxy-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-propionic acid is 272.08 g/mol.
Where can I buy 3-(5-Butyl-4-hydroxy-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-propionic acid?
You can request a quote for 3-(5-Butyl-4-hydroxy-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-propionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-Butyl-4-hydroxy-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-Butyl-4-hydroxy-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.