phenyl-2-propyl ketone
TL;DR: phenyl-2-propyl ketone (CAS 56964-78-4) is a chemical compound with molecular formula C18H20N4O4S and molecular weight 388.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(2-methylphenyl)methylsulfanyl]purin-9-yl]oxolane-3,4-diol
Also Known As: phenyl-2-propyl ketone, (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(2-methylphenyl)methylsulfanyl]purin-9-yl]oxolane-3,4-diol, Inosine, 6-S-[(2-methylphenyl)methyl]-6-thio-, 6-{[(2-Methylphenyl)methyl]sulfanyl}-9-beta-D-ribofuranosyl-9H-purine, 9H-Purine, 6-[[(2-methylphenyl)methyl]thio]-9-beta-D-ribofuranosyl-
| Molecular Formula | C18H20N4O4S |
|---|---|
| Molecular Weight | 388.12 g/mol |
| LogP | 1.03852 |
| Topological Polar Surface Area | 113.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.1205 |
| Heavy Atoms | 27 |
| Complexity | 950.0112 |
Chemical Identifiers
| CAS Number | 56964-78-4 |
|---|---|
| SMILES | CC1=CC=CC=C1CSC2=NC=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O |
Product Overview
phenyl-2-propyl ketone (CAS 56964-78-4), with molecular formula C18H20N4O4S and molecular weight 388.12 g/mol. IUPAC: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(2-methylphenyl)methylsulfanyl]purin-9-yl]oxolane-3,4-diol.
Chemical Property Profile of phenyl-2-propyl ketone
Property Insights of phenyl-2-propyl ketone
The XLogP value of 1.03852 suggests moderate lipophilicity, balancing water solubility and membrane permeability for phenyl-2-propyl ketone. The TPSA of 113.52 Ų falls within the moderate polarity range, balancing permeability and solubility for phenyl-2-propyl ketone. Following Lipinski's Rule of Five, phenyl-2-propyl ketone has 3 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 phenyl-2-propyl ketone?
The CAS number of phenyl-2-propyl ketone is 56964-78-4.
What is the molecular formula of phenyl-2-propyl ketone?
The molecular formula of phenyl-2-propyl ketone is C18H20N4O4S.
What is the molecular weight of phenyl-2-propyl ketone?
The molecular weight of phenyl-2-propyl ketone is 388.12 g/mol.
Where can I buy phenyl-2-propyl ketone?
You can request a quote for phenyl-2-propyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for phenyl-2-propyl ketone?
Yes, KEHONG BIO provides custom synthesis services for phenyl-2-propyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.