Roletamida
TL;DR: Roletamida (CAS 10078-46-3) is a chemical compound with molecular formula C16H19NO4 and molecular weight 289.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,5-dihydropyrrol-1-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Also Known As: Roletamida, Roletamidum, ROLETAMIDE [INN], Roletamide [USAN:INN], ROLETAMIDE [USAN]
| Molecular Formula | C16H19NO4 |
|---|---|
| Molecular Weight | 289.13 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 289.1314 |
| Heavy Atoms | 21 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 10078-46-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)C=CN2CC=CC2 |
| InChIKey | QECAKYKTTYQVKX-UHFFFAOYSA-N |
Product Overview
Roletamida (CAS 10078-46-3), with molecular formula C16H19NO4 and molecular weight 289.13 g/mol. IUPAC: 3-(2,5-dihydropyrrol-1-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one.
Chemical Property Profile of Roletamida
Property Insights of Roletamida
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Roletamida. With a topological polar surface area (TPSA) of 48.0 Ų, Roletamida exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Roletamida has 0 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 Roletamida?
The CAS number of Roletamida is 10078-46-3.
What is the molecular formula of Roletamida?
The molecular formula of Roletamida is C16H19NO4.
What is the molecular weight of Roletamida?
The molecular weight of Roletamida is 289.13 g/mol.
Where can I buy Roletamida?
You can request a quote for Roletamida directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Roletamida?
Yes, KEHONG BIO provides custom synthesis services for Roletamida and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.