Revatropate
TL;DR: Revatropate (CAS 149926-91-0) is a chemical compound with molecular formula C19H27NO4S and molecular weight 365.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] (2S)-2-(hydroxymethyl)-4-methylsulfinyl-2-phenylbutanoate
Also Known As: Revatropate, [(3R)-1-azabicyclo[2.2.2]octan-3-yl] (2S)-2-(hydroxymethyl)-4-methylsulfinyl-2-phenylbutanoate, (3R)-1-azabicyclo[2.2.2]octan-3-yl (2S)-2-(hydroxymethyl)-4-methanesulfinyl-2-phenylbutanoate, (alphaS)-alpha-(Hydroxymethyl)-alpha-[2-(methylsulfinyl)ethyl]benzeneacetic acid (3R)-1-azabicyclo[2.2.2]octan-3-yl ester
| Molecular Formula | C19H27NO4S |
|---|---|
| Molecular Weight | 365.17 g/mol |
| LogP | 1.3227 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 365.16608 |
| Heavy Atoms | 25 |
| Complexity | 615.1099 |
Chemical Identifiers
| CAS Number | 149926-91-0 |
|---|---|
| SMILES | CS(=O)CC[C@@](CO)(C1=CC=CC=C1)C(=O)O[C@H]2CN3CCC2CC3 |
Product Overview
Revatropate (CAS 149926-91-0), with molecular formula C19H27NO4S and molecular weight 365.17 g/mol. IUPAC: [(3R)-1-azabicyclo[2.2.2]octan-3-yl] (2S)-2-(hydroxymethyl)-4-methylsulfinyl-2-phenylbutanoate.
Chemical Property Profile of Revatropate
Property Insights of Revatropate
The XLogP value of 1.3227 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Revatropate. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for Revatropate. Following Lipinski's Rule of Five, Revatropate has 1 hydrogen bond donor(s) and 5 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 Revatropate?
The CAS number of Revatropate is 149926-91-0.
What is the molecular formula of Revatropate?
The molecular formula of Revatropate is C19H27NO4S.
What is the molecular weight of Revatropate?
The molecular weight of Revatropate is 365.17 g/mol.
Where can I buy Revatropate?
You can request a quote for Revatropate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Revatropate?
Yes, KEHONG BIO provides custom synthesis services for Revatropate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.