Propanesulfone
TL;DR: Propanesulfone (CAS 1528-41-2) 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-[2-amino-6-(2-phenylethylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: Propanesulfone, 9-pentofuranosyl-6-[(2-phenylethyl)sulfanyl]-9h-purin-2-amine, 9-Pentofuranosyl-6-[(2-phenylethyl)sulfanyl]-3,9-dihydro-2H-purin-2-imine, 2-(2-amino-6-(phenethylthio)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol, 2-(2-amino-6-phenethylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
| Molecular Formula | C18H21N5O4S |
|---|---|
| Molecular Weight | 403.13 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 165.0 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 | 1528-41-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCSC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)N |
| InChIKey | YJHXACPLHMKPDD-UHFFFAOYSA-N |
Product Overview
Propanesulfone (CAS 1528-41-2), with molecular formula C18H21N5O4S and molecular weight 403.13 g/mol. IUPAC: 2-[2-amino-6-(2-phenylethylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol.
Chemical Property Profile of Propanesulfone
Property Insights of Propanesulfone
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanesulfone. The TPSA of 165.0 Ų indicates high polarity, suggesting Propanesulfone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Propanesulfone 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 Propanesulfone?
The CAS number of Propanesulfone is 1528-41-2.
What is the molecular formula of Propanesulfone?
The molecular formula of Propanesulfone is C18H21N5O4S.
What is the molecular weight of Propanesulfone?
The molecular weight of Propanesulfone is 403.13 g/mol.
Where can I buy Propanesulfone?
You can request a quote for Propanesulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanesulfone?
Yes, KEHONG BIO provides custom synthesis services for Propanesulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.