Inosine, 6-S-(2-oxo-2-phenylethyl)-6-thio-
TL;DR: Inosine, 6-S-(2-oxo-2-phenylethyl)-6-thio- (CAS 51375-22-5) is a chemical compound with molecular formula C18H18N4O5S and molecular weight 402.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]sulfanyl-1-phenylethanone
Also Known As: 6-S-(2-Oxo-2-phenylethyl)-6-thioinosine, Inosine, 6-S-(2-oxo-2-phenylethyl)-6-thio-, 6-[(2-Oxo-2-phenylethyl)sulfanyl]-9-beta-D-ribofuranosyl-9H-purine, Ethanone, 1-phenyl-2-[(9-.beta.-D-ribofuranosyl-9H-purin-6-yl)thio]-, 2-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]sulfanyl-1-phenylethanone
| Molecular Formula | C18H18N4O5S |
|---|---|
| Molecular Weight | 402.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.0998 |
| Heavy Atoms | 28 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 51375-22-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CSC2=NC=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O |
| InChIKey | VURKXOOYFPVGRK-SCFUHWHPSA-N |
Product Overview
Inosine, 6-S-(2-oxo-2-phenylethyl)-6-thio- (CAS 51375-22-5), with molecular formula C18H18N4O5S and molecular weight 402.10 g/mol. IUPAC: 2-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]sulfanyl-1-phenylethanone.
Chemical Property Profile of Inosine, 6-S-(2-oxo-2-phenylethyl)-6-thio-
Property Insights of Inosine, 6-S-(2-oxo-2-phenylethyl)-6-thio-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Inosine, 6-S-(2-oxo-2-phenylethyl)-6-thio-. The TPSA of 156.0 Ų indicates high polarity, suggesting Inosine, 6-S-(2-oxo-2-phenylethyl)-6-thio- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Inosine, 6-S-(2-oxo-2-phenylethyl)-6-thio- has 3 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 Inosine, 6-S-(2-oxo-2-phenylethyl)-6-thio-?
The CAS number of Inosine, 6-S-(2-oxo-2-phenylethyl)-6-thio- is 51375-22-5.
What is the molecular formula of Inosine, 6-S-(2-oxo-2-phenylethyl)-6-thio-?
The molecular formula of Inosine, 6-S-(2-oxo-2-phenylethyl)-6-thio- is C18H18N4O5S.
What is the molecular weight of Inosine, 6-S-(2-oxo-2-phenylethyl)-6-thio-?
The molecular weight of Inosine, 6-S-(2-oxo-2-phenylethyl)-6-thio- is 402.10 g/mol.
Where can I buy Inosine, 6-S-(2-oxo-2-phenylethyl)-6-thio-?
You can request a quote for Inosine, 6-S-(2-oxo-2-phenylethyl)-6-thio- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Inosine, 6-S-(2-oxo-2-phenylethyl)-6-thio-?
Yes, KEHONG BIO provides custom synthesis services for Inosine, 6-S-(2-oxo-2-phenylethyl)-6-thio- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.