Methenamine Mandelate
TL;DR: Methenamine Mandelate (CAS 587-23-5) is a chemical compound with molecular formula C14H20N4O3 and molecular weight 292.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-2-phenylacetic acid;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
Also Known As: METHENAMINE MANDELATE, Mandelamine, Hexydaline, Hexamine mandelate, Mantropine
| Molecular Formula | C14H20N4O3 |
|---|---|
| Molecular Weight | 292.15 g/mol |
| LogP | -0.22 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 292.15353 |
| Heavy Atoms | 21 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 587-23-5 |
|---|---|
| SMILES | C1N2CN3CN1CN(C2)C3.C1=CC=C(C=C1)C(C(=O)O)O |
| InChIKey | UXNFIJPHRQEWRQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methenamine Mandelate (CAS 587-23-5), with molecular formula C14H20N4O3 and molecular weight 292.15 g/mol. IUPAC: 2-hydroxy-2-phenylacetic acid;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane.
Chemical Property Profile of Methenamine Mandelate
Property Insights of Methenamine Mandelate
The XLogP value of -0.22 indicates that Methenamine Mandelate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Methenamine Mandelate. Following Lipinski's Rule of Five, Methenamine Mandelate has 2 hydrogen bond donor(s) and 7 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 Methenamine Mandelate?
The CAS number of Methenamine Mandelate is 587-23-5.
What is the molecular formula of Methenamine Mandelate?
The molecular formula of Methenamine Mandelate is C14H20N4O3.
What is the molecular weight of Methenamine Mandelate?
The molecular weight of Methenamine Mandelate is 292.15 g/mol.
Where can I buy Methenamine Mandelate?
You can request a quote for Methenamine Mandelate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methenamine Mandelate?
Yes, KEHONG BIO provides custom synthesis services for Methenamine Mandelate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.