![2-[(3,5-Dihydroxy-1,2,4-triazin-6-yl)sulfanyl]butanoic acid structure](/static/products/302/302548-74-9.png)
2-[(3,5-Dihydroxy-1,2,4-triazin-6-yl)sulfanyl]butanoic acid
TL;DR: 2-[(3,5-Dihydroxy-1,2,4-triazin-6-yl)sulfanyl]butanoic acid (CAS 302548-74-9) is a chemical compound with molecular formula C7H9N3O4S and molecular weight 231.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]butanoic acid
Also Known As: ChemDiv3_001209, IDI1_020175, J2.203.125B, BRD-A22111484-001-01-9, 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]butanoic acid
| Molecular Formula | C7H9N3O4S |
|---|---|
| Molecular Weight | 231.03 g/mol |
| LogP | -0.5865 |
| Topological Polar Surface Area | 115.91 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.03137 |
| Heavy Atoms | 15 |
| Complexity | 465.79337 |
Chemical Identifiers
| CAS Number | 302548-74-9 |
|---|---|
| SMILES | CCC(C(=O)O)SC1=NNC(=O)NC1=O |
Product Overview
2-[(3,5-Dihydroxy-1,2,4-triazin-6-yl)sulfanyl]butanoic acid (CAS 302548-74-9), with molecular formula C7H9N3O4S and molecular weight 231.03 g/mol. IUPAC: 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]butanoic acid.
Chemical Property Profile of 2-[(3,5-Dihydroxy-1,2,4-triazin-6-yl)sulfanyl]butanoic acid
Property Insights of 2-[(3,5-Dihydroxy-1,2,4-triazin-6-yl)sulfanyl]butanoic acid
The XLogP value of -0.5865 indicates that 2-[(3,5-Dihydroxy-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 115.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3,5-Dihydroxy-1,2,4-triazin-6-yl)sulfanyl]butanoic acid. Following Lipinski's Rule of Five, 2-[(3,5-Dihydroxy-1,2,4-triazin-6-yl)sulfanyl]butanoic 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 2-[(3,5-Dihydroxy-1,2,4-triazin-6-yl)sulfanyl]butanoic acid?
The CAS number of 2-[(3,5-Dihydroxy-1,2,4-triazin-6-yl)sulfanyl]butanoic acid is 302548-74-9.
What is the molecular formula of 2-[(3,5-Dihydroxy-1,2,4-triazin-6-yl)sulfanyl]butanoic acid?
The molecular formula of 2-[(3,5-Dihydroxy-1,2,4-triazin-6-yl)sulfanyl]butanoic acid is C7H9N3O4S.
What is the molecular weight of 2-[(3,5-Dihydroxy-1,2,4-triazin-6-yl)sulfanyl]butanoic acid?
The molecular weight of 2-[(3,5-Dihydroxy-1,2,4-triazin-6-yl)sulfanyl]butanoic acid is 231.03 g/mol.
Where can I buy 2-[(3,5-Dihydroxy-1,2,4-triazin-6-yl)sulfanyl]butanoic acid?
You can request a quote for 2-[(3,5-Dihydroxy-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 2-[(3,5-Dihydroxy-1,2,4-triazin-6-yl)sulfanyl]butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3,5-Dihydroxy-1,2,4-triazin-6-yl)sulfanyl]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.