![ethyl 4-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]butanoate structure](/static/products/846/84608-16-2.png)
ethyl 4-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]butanoate
TL;DR: ethyl 4-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]butanoate (CAS 84608-16-2) 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.
ethyl 4-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]butanoate
Also Known As: ethyl 4-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]butanoate, 6-[(4-Ethoxy-4-oxobutyl)sulfanyl]-2-pentofuranosyl-1,2,4-triazine-3,5(2H,4H)-dione
| Molecular Formula | C14H21N3O8S |
|---|---|
| Molecular Weight | 391.10 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 391.10495 |
| Heavy Atoms | 26 |
| Complexity | 587.0 |
Chemical Identifiers
| CAS Number | 84608-16-2 |
|---|---|
| SMILES | CCOC(=O)CCCSC1=NN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O |
| InChIKey | MWBYNTTWOXCTEK-UHFFFAOYSA-N |
Product Overview
ethyl 4-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]butanoate (CAS 84608-16-2), with molecular formula C14H21N3O8S and molecular weight 391.10 g/mol. IUPAC: ethyl 4-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]butanoate.
Chemical Property Profile of ethyl 4-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]butanoate
Property Insights of ethyl 4-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]butanoate
The XLogP value of -0.8 indicates that ethyl 4-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]butanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 183.0 Ų indicates high polarity, suggesting ethyl 4-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]butanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl 4-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]butanoate has 4 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 ethyl 4-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]butanoate?
The CAS number of ethyl 4-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]butanoate is 84608-16-2.
What is the molecular formula of ethyl 4-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]butanoate?
The molecular formula of ethyl 4-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]butanoate is C14H21N3O8S.
What is the molecular weight of ethyl 4-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]butanoate?
The molecular weight of ethyl 4-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]butanoate is 391.10 g/mol.
Where can I buy ethyl 4-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]butanoate?
You can request a quote for ethyl 4-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]butanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]sulfanyl]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.