Debendox
TL;DR: Debendox (CAS 8064-77-5) is a chemical compound with molecular formula C48H76Cl2N4O10 and molecular weight 938.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;butanedioic acid;2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine;dihydrochloride
Also Known As: Debendox, Bendectin, Lenotan, Bendectin (old formulation), Dicyclomine hydrochloride mixure with doxylamine succinate and pyridoxine hydrochloride
| Molecular Formula | C48H76Cl2N4O10 |
|---|---|
| Molecular Weight | 938.49 g/mol |
| LogP | 8.18512 |
| Topological Polar Surface Area | 203.08 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 18 |
| Exact Mass | 938.49384 |
| Heavy Atoms | 64 |
| Complexity | 1670.828 |
Chemical Identifiers
| CAS Number | 8064-77-5 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2.CC1=NC=C(C(=C1O)CO)CO.CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C.C(CC(=O)O)C(=O)O.Cl.Cl |
Product Overview
Debendox (CAS 8064-77-5), with molecular formula C48H76Cl2N4O10 and molecular weight 938.49 g/mol. IUPAC: 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;butanedioic acid;2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine;dihydrochloride.
Chemical Property Profile of Debendox
Property Insights of Debendox
The XLogP value of 8.18512 indicates that Debendox is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 203.08 Ų indicates high polarity, suggesting Debendox may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Debendox has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Debendox?
The CAS number of Debendox is 8064-77-5.
What is the molecular formula of Debendox?
The molecular formula of Debendox is C48H76Cl2N4O10.
What is the molecular weight of Debendox?
The molecular weight of Debendox is 938.49 g/mol.
Where can I buy Debendox?
You can request a quote for Debendox directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Debendox?
Yes, KEHONG BIO provides custom synthesis services for Debendox and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.