![4-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]butanoic acid structure](/static/products/846/84608-19-5.png)
4-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]butanoic acid
TL;DR: 4-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]butanoic acid (CAS 84608-19-5) is a chemical compound with molecular formula C12H17N3O8S and molecular weight 363.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]butanoic acid
Also Known As: 4-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]butanoic acid, 6-[(3-Carboxypropyl)sulfanyl]-2-pentofuranosyl-1,2,4-triazine-3,5(2H,4H)-dione, BUTANOIC ACID,4-[(2,3,4,5-TETRAHYDRO-3,5-DIOXO-2-B-D-RIBOFURANOSYL-1,2,4-TRIAZIN-6-YL)THIO]-
| Molecular Formula | C12H17N3O8S |
|---|---|
| Molecular Weight | 363.07 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 194.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 363.07364 |
| Heavy Atoms | 24 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 84608-19-5 |
|---|---|
| SMILES | C(CC(=O)O)CSC1=NN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O |
| InChIKey | HZERUHRANRGCNL-UHFFFAOYSA-N |
Product Overview
4-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]butanoic acid (CAS 84608-19-5), with molecular formula C12H17N3O8S and molecular weight 363.07 g/mol. IUPAC: 4-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]butanoic acid.
Chemical Property Profile of 4-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]butanoic acid
Property Insights of 4-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]butanoic acid
The XLogP value of -1.4 indicates that 4-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]butanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 194.0 Ų indicates high polarity, suggesting 4-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]butanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]butanoic acid has 5 hydrogen bond donor(s) and 10 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 4-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]butanoic acid?
The CAS number of 4-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]butanoic acid is 84608-19-5.
What is the molecular formula of 4-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]butanoic acid?
The molecular formula of 4-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]butanoic acid is C12H17N3O8S.
What is the molecular weight of 4-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]butanoic acid?
The molecular weight of 4-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]butanoic acid is 363.07 g/mol.
Where can I buy 4-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]butanoic acid?
You can request a quote for 4-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.