Ruspolinone
TL;DR: Ruspolinone (CAS 60890-27-9) is a chemical compound with molecular formula C14H19NO3 and molecular weight 249.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethoxyphenyl)-2-pyrrolidin-2-ylethanone
Also Known As: Ruspolinone, Rusplinone, 1-(3,4-dimethoxyphenyl)-2-pyrrolidin-2-ylethanone, 2-(3,4-Dimethoxyphenacyl)pyrrolidine, 1-(3,4-dimethoxyphenyl)-2-pyrrolidin-2-yl-ethanone
| Molecular Formula | C14H19NO3 |
|---|---|
| Molecular Weight | 249.14 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 249.13649 |
| Heavy Atoms | 18 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 60890-27-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)CC2CCCN2)OC |
| InChIKey | TYXKSMFICLVQCO-UHFFFAOYSA-N |
Product Overview
Ruspolinone (CAS 60890-27-9), with molecular formula C14H19NO3 and molecular weight 249.14 g/mol. IUPAC: 1-(3,4-dimethoxyphenyl)-2-pyrrolidin-2-ylethanone.
Chemical Property Profile of Ruspolinone
Property Insights of Ruspolinone
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ruspolinone. With a topological polar surface area (TPSA) of 47.6 Ų, Ruspolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ruspolinone has 1 hydrogen bond donor(s) and 4 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 Ruspolinone?
The CAS number of Ruspolinone is 60890-27-9.
What is the molecular formula of Ruspolinone?
The molecular formula of Ruspolinone is C14H19NO3.
What is the molecular weight of Ruspolinone?
The molecular weight of Ruspolinone is 249.14 g/mol.
Where can I buy Ruspolinone?
You can request a quote for Ruspolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ruspolinone?
Yes, KEHONG BIO provides custom synthesis services for Ruspolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.