![2-[6-Benzylsulfanyl-2-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol structure](/static/products/4576/4576-90-3.webp)
2-[6-Benzylsulfanyl-2-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
TL;DR: 2-[6-Benzylsulfanyl-2-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol (CAS 4576-90-3) is a chemical compound with molecular formula C18H21N5O4S and molecular weight 403.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-benzylsulfanyl-2-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: 6-(benzylsulfanyl)-n-methyl-9-pentofuranosyl-9h-purin-2-amine, 2-[6-benzylsulfanyl-2-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol, 6-(Benzylsulfanyl)-N-methyl-9-pentofuranosyl-3,9-dihydro-2H-purin-2-imine
| Molecular Formula | C18H21N5O4S |
|---|---|
| Molecular Weight | 403.13 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.13144 |
| Heavy Atoms | 28 |
| Complexity | 514.0 |
Chemical Identifiers
| CAS Number | 4576-90-3 |
|---|---|
| SMILES | CNC1=NC2=C(C(=N1)SCC3=CC=CC=C3)N=CN2C4C(C(C(O4)CO)O)O |
| InChIKey | PUVKYIMJDMFYPJ-UHFFFAOYSA-N |
Product Overview
2-[6-Benzylsulfanyl-2-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol (CAS 4576-90-3), with molecular formula C18H21N5O4S and molecular weight 403.13 g/mol. IUPAC: 2-[6-benzylsulfanyl-2-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol.
Chemical Property Profile of 2-[6-Benzylsulfanyl-2-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Property Insights of 2-[6-Benzylsulfanyl-2-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[6-Benzylsulfanyl-2-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol. The TPSA of 151.0 Ų indicates high polarity, suggesting 2-[6-Benzylsulfanyl-2-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[6-Benzylsulfanyl-2-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol has 4 hydrogen bond donor(s) and 9 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-[6-Benzylsulfanyl-2-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The CAS number of 2-[6-Benzylsulfanyl-2-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol is 4576-90-3.
What is the molecular formula of 2-[6-Benzylsulfanyl-2-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The molecular formula of 2-[6-Benzylsulfanyl-2-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol is C18H21N5O4S.
What is the molecular weight of 2-[6-Benzylsulfanyl-2-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The molecular weight of 2-[6-Benzylsulfanyl-2-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol is 403.13 g/mol.
Where can I buy 2-[6-Benzylsulfanyl-2-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
You can request a quote for 2-[6-Benzylsulfanyl-2-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[6-Benzylsulfanyl-2-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-[6-Benzylsulfanyl-2-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.