Colonaid
TL;DR: Colonaid (CAS 3810-80-8) is a chemical compound with molecular formula C30H33ClN2O2 and molecular weight 488.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidin-1-ium-4-carboxylate chloride
Also Known As: Colonaid, Lomotil, Lonox, Mixture Name, Diphenoxylate HCl
| Molecular Formula | C30H33ClN2O2 |
|---|---|
| Molecular Weight | 488.22 g/mol |
| LogP | 1.07 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 488.22305 |
| Heavy Atoms | 35 |
| Complexity | 666.0 |
Chemical Identifiers
| CAS Number | 3810-80-8 |
|---|---|
| SMILES | CCOC(=O)C1(CC[NH+](CC1)CCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Cl-] |
| InChIKey | SHTAFWKOISOCBI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Colonaid (CAS 3810-80-8), with molecular formula C30H33ClN2O2 and molecular weight 488.22 g/mol. IUPAC: ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidin-1-ium-4-carboxylate chloride.
Chemical Property Profile of Colonaid
Property Insights of Colonaid
The XLogP value of 1.07 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Colonaid. With a topological polar surface area (TPSA) of 54.5 Ų, Colonaid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Colonaid has 1 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 Colonaid?
The CAS number of Colonaid is 3810-80-8.
What is the molecular formula of Colonaid?
The molecular formula of Colonaid is C30H33ClN2O2.
What is the molecular weight of Colonaid?
The molecular weight of Colonaid is 488.22 g/mol.
Where can I buy Colonaid?
You can request a quote for Colonaid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Colonaid?
Yes, KEHONG BIO provides custom synthesis services for Colonaid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.