![6-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]hexanoic acid structure](/static/products/846/84608-20-8.png)
6-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]hexanoic acid
TL;DR: 6-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]hexanoic acid (CAS 84608-20-8) is a chemical compound with molecular formula C14H21N3O8S and molecular weight 391.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]hexanoic acid
Also Known As: 6-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]hexanoic acid, 6-[(5-Carboxypentyl)sulfanyl]-2-pentofuranosyl-1,2,4-triazine-3,5(2H,4H)-dione, Hexanoic acid,6-[(2,3,4,5-tetrahydro-3,5-dioxo-2-b-d-ribofuranosyl-1,2,4-triazin-6-yl)thio]-
| Molecular Formula | C14H21N3O8S |
|---|---|
| Molecular Weight | 391.10 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 194.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 391.10495 |
| Heavy Atoms | 26 |
| Complexity | 587.0 |
Chemical Identifiers
| CAS Number | 84608-20-8 |
|---|---|
| SMILES | C(CCC(=O)O)CCSC1=NN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O |
| InChIKey | FGHUJJCGMALMLC-UHFFFAOYSA-N |
Product Overview
6-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]hexanoic acid (CAS 84608-20-8), with molecular formula C14H21N3O8S and molecular weight 391.10 g/mol. IUPAC: 6-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]hexanoic acid.
Chemical Property Profile of 6-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]hexanoic acid
Property Insights of 6-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]hexanoic acid
The XLogP value of -0.6 indicates that 6-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]hexanoic 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 6-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]hexanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]hexanoic 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 6-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]hexanoic acid?
The CAS number of 6-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]hexanoic acid is 84608-20-8.
What is the molecular formula of 6-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]hexanoic acid?
The molecular formula of 6-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]hexanoic acid is C14H21N3O8S.
What is the molecular weight of 6-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]hexanoic acid?
The molecular weight of 6-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]hexanoic acid is 391.10 g/mol.
Where can I buy 6-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]hexanoic acid?
You can request a quote for 6-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]hexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]hexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]hexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.