Rofelodine
TL;DR: Rofelodine (CAS 76696-97-4) is a chemical compound with molecular formula C13H14N2O and molecular weight 214.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-phenyl-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-4-one
Also Known As: Rofelodine, Rofelodina, Rofelodinum, Rofelodine [INN], Rofelodinum [Latin]
| Molecular Formula | C13H14N2O |
|---|---|
| Molecular Weight | 214.11 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 214.11061 |
| Heavy Atoms | 16 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 76696-97-4 |
|---|---|
| SMILES | C1CN=C2CC(CN2C1=O)C3=CC=CC=C3 |
| InChIKey | JFKIAPMUYQUVHX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Rofelodine (CAS 76696-97-4), with molecular formula C13H14N2O and molecular weight 214.11 g/mol. IUPAC: 7-phenyl-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-4-one.
Chemical Property Profile of Rofelodine
Property Insights of Rofelodine
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Rofelodine. With a topological polar surface area (TPSA) of 32.7 Ų, Rofelodine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Rofelodine has 0 hydrogen bond donor(s) and 2 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 Rofelodine?
The CAS number of Rofelodine is 76696-97-4.
What is the molecular formula of Rofelodine?
The molecular formula of Rofelodine is C13H14N2O.
What is the molecular weight of Rofelodine?
The molecular weight of Rofelodine is 214.11 g/mol.
Where can I buy Rofelodine?
You can request a quote for Rofelodine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rofelodine?
Yes, KEHONG BIO provides custom synthesis services for Rofelodine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.