Cumelon
TL;DR: Cumelon (CAS 82085-94-7) is a chemical compound with molecular formula C17H24ClNO3 and molecular weight 325.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[4-(aminomethyl)cyclohexanecarbonyl]phenyl]propanoic acid;hydrochloride
Also Known As: Cumelon, Rotraxate hydrochloride, Rotraxate HCl, Tei 5103, TG 51
| Molecular Formula | C17H24ClNO3 |
|---|---|
| Molecular Weight | 325.14 g/mol |
| LogP | 3.0734 |
| Topological Polar Surface Area | 80.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 325.14447 |
| Heavy Atoms | 22 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 82085-94-7 |
|---|---|
| SMILES | C1CC(CCC1CN)C(=O)C2=CC=C(C=C2)CCC(=O)O.Cl |
| InChIKey | SQPDKJPOCJNLSJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cumelon (CAS 82085-94-7), with molecular formula C17H24ClNO3 and molecular weight 325.14 g/mol. IUPAC: 3-[4-[4-(aminomethyl)cyclohexanecarbonyl]phenyl]propanoic acid;hydrochloride.
Chemical Property Profile of Cumelon
Property Insights of Cumelon
The XLogP value of 3.0734 indicates that Cumelon is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Cumelon. Following Lipinski's Rule of Five, Cumelon has 3 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 Cumelon?
The CAS number of Cumelon is 82085-94-7.
What is the molecular formula of Cumelon?
The molecular formula of Cumelon is C17H24ClNO3.
What is the molecular weight of Cumelon?
The molecular weight of Cumelon is 325.14 g/mol.
Where can I buy Cumelon?
You can request a quote for Cumelon directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cumelon?
Yes, KEHONG BIO provides custom synthesis services for Cumelon and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.