Rolafagrel
TL;DR: Rolafagrel (CAS 89781-55-5) is a chemical compound with molecular formula C14H12N2O2 and molecular weight 240.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-imidazol-1-yl-5,6-dihydronaphthalene-2-carboxylic acid
Also Known As: Rolafagrel, Rolafagrelum, Rolafagrel [INN], Fce 22178, Rolafagrelum [INN-Latin]
| Molecular Formula | C14H12N2O2 |
|---|---|
| Molecular Weight | 240.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.08987 |
| Heavy Atoms | 18 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 89781-55-5 |
|---|---|
| SMILES | C1CC(=CC2=C1C=CC(=C2)C(=O)O)N3C=CN=C3 |
| InChIKey | DQEDSIVMYUUZCK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Rolafagrel (CAS 89781-55-5), with molecular formula C14H12N2O2 and molecular weight 240.09 g/mol. IUPAC: 7-imidazol-1-yl-5,6-dihydronaphthalene-2-carboxylic acid.
Chemical Property Profile of Rolafagrel
Property Insights of Rolafagrel
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Rolafagrel. With a topological polar surface area (TPSA) of 55.1 Ų, Rolafagrel exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Rolafagrel has 1 hydrogen bond donor(s) and 3 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 Rolafagrel?
The CAS number of Rolafagrel is 89781-55-5.
What is the molecular formula of Rolafagrel?
The molecular formula of Rolafagrel is C14H12N2O2.
What is the molecular weight of Rolafagrel?
The molecular weight of Rolafagrel is 240.09 g/mol.
Where can I buy Rolafagrel?
You can request a quote for Rolafagrel directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rolafagrel?
Yes, KEHONG BIO provides custom synthesis services for Rolafagrel and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.