![6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione structure](/static/products/903/90302-11-7.png)
6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione
TL;DR: 6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione (CAS 90302-11-7) is a chemical compound with molecular formula C15H17N3O6S and molecular weight 367.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione
Also Known As: 6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione, 6-(Benzylsulfanyl)-2-pentofuranosyl-1,2,4-triazine-3,5(2H,4H)-dione
| Molecular Formula | C15H17N3O6S |
|---|---|
| Molecular Weight | 367.08 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 367.0838 |
| Heavy Atoms | 25 |
| Complexity | 553.0 |
Chemical Identifiers
| CAS Number | 90302-11-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NN(C(=O)NC2=O)C3C(C(C(O3)CO)O)O |
| InChIKey | IKEYLHWZCCHPGE-UHFFFAOYSA-N |
Product Overview
6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione (CAS 90302-11-7), with molecular formula C15H17N3O6S and molecular weight 367.08 g/mol. IUPAC: 6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione.
Chemical Property Profile of 6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione
Property Insights of 6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione. The TPSA of 157.0 Ų indicates high polarity, suggesting 6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione has 4 hydrogen bond donor(s) and 8 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-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione?
The CAS number of 6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione is 90302-11-7.
What is the molecular formula of 6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione?
The molecular formula of 6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione is C15H17N3O6S.
What is the molecular weight of 6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione?
The molecular weight of 6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione is 367.08 g/mol.
Where can I buy 6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione?
You can request a quote for 6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.