![3-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]propanoic acid structure](/static/products/7354/73541-87-4.webp)
3-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]propanoic acid
TL;DR: 3-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]propanoic acid (CAS 73541-87-4) is a chemical compound with molecular formula C8H10N2O4S and molecular weight 230.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]propanoic acid
Also Known As: 3-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]propanoic acid, 3-[(2,6-dioxo-3H-pyrimidin-4-yl)methylsulfanyl]propanoic acid, 3-{[(2,6-Dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]sulfanyl}propanoic acid
| Molecular Formula | C8H10N2O4S |
|---|---|
| Molecular Weight | 230.04 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 230.03613 |
| Heavy Atoms | 15 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 73541-87-4 |
|---|---|
| SMILES | C1=C(NC(=O)NC1=O)CSCCC(=O)O |
| InChIKey | AFNOLFUUKQPVMC-UHFFFAOYSA-N |
Product Overview
3-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]propanoic acid (CAS 73541-87-4), with molecular formula C8H10N2O4S and molecular weight 230.04 g/mol. IUPAC: 3-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]propanoic acid.
Chemical Property Profile of 3-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]propanoic acid
Property Insights of 3-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]propanoic acid
The XLogP value of -1.0 indicates that 3-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]propanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]propanoic acid. Following Lipinski's Rule of Five, 3-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]propanoic 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-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]propanoic acid?
The CAS number of 3-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]propanoic acid is 73541-87-4.
What is the molecular formula of 3-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]propanoic acid?
The molecular formula of 3-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]propanoic acid is C8H10N2O4S.
What is the molecular weight of 3-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]propanoic acid?
The molecular weight of 3-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]propanoic acid is 230.04 g/mol.
Where can I buy 3-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]propanoic acid?
You can request a quote for 3-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.