Votracon
TL;DR: Votracon (CAS 102585-97-7) is a chemical compound with molecular formula C22H31N3O5 and molecular weight 417.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-N-(1-cyclohexylpyrrolidin-1-ium-3-yl)-N-methylbenzamide;4-hydroxy-4-oxobut-2-enoate
Also Known As: Votracon
| Molecular Formula | C22H31N3O5 |
|---|---|
| Molecular Weight | 417.23 g/mol |
| LogP | -0.29 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.22638 |
| Heavy Atoms | 30 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 102585-97-7 |
|---|---|
| SMILES | CN(C1CC[NH+](C1)C2CCCCC2)C(=O)C3=CC=C(C=C3)N.C(=CC(=O)[O-])C(=O)O |
| InChIKey | UUTCSRWJAKFMIJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Votracon (CAS 102585-97-7), with molecular formula C22H31N3O5 and molecular weight 417.23 g/mol. IUPAC: 4-amino-N-(1-cyclohexylpyrrolidin-1-ium-3-yl)-N-methylbenzamide;4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of Votracon
Property Insights of Votracon
The XLogP value of -0.29 indicates that Votracon is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Votracon. Following Lipinski's Rule of Five, Votracon has 3 hydrogen bond donor(s) and 6 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 Votracon?
The CAS number of Votracon is 102585-97-7.
What is the molecular formula of Votracon?
The molecular formula of Votracon is C22H31N3O5.
What is the molecular weight of Votracon?
The molecular weight of Votracon is 417.23 g/mol.
Where can I buy Votracon?
You can request a quote for Votracon directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Votracon?
Yes, KEHONG BIO provides custom synthesis services for Votracon and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.