Choline, iodide, 10,11-dihydro-5-hydroxy-5H-benzo(4,5)cyclohepta(1,2-b)pyridine-5-carboxylate
TL;DR: Choline, iodide, 10,11-dihydro-5-hydroxy-5H-benzo(4,5)cyclohepta(1,2-b)pyridine-5-carboxylate (CAS 38914-47-5) is a chemical compound with molecular formula C20H25IN2O3 and molecular weight 468.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-hydroxy-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carbonyl)oxyethyl-trimethylazanium iodide
Also Known As: Choline, iodide, 10,11-dihydro-5-hydroxy-5H-benzo(4,5)cyclohepta(1,2-b)pyridine-5-carboxylate, 2-{[(5-hydroxy-10,11-dihydro-5h-benzo[4,5]cyclohepta[1,2-b]pyridin-5-yl)carbonyl]oxy}-n,n,n-trimethylethanaminium iodide, 2-[(5-Hydroxy-10,11-dihydro-5H-benzo[4,5]cyclohepta[1,2-b]pyridine-5-carbonyl)oxy]-N,N,N-trimethylethan-1-aminium iodide, RefChem:334003
| Molecular Formula | C20H25IN2O3 |
|---|---|
| Molecular Weight | 468.09 g/mol |
| LogP | -1.3305 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 468.091 |
| Heavy Atoms | 26 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 38914-47-5 |
|---|---|
| SMILES | C[N+](C)(C)CCOC(=O)C1(C2=C(CCC3=CC=CC=C31)N=CC=C2)O.[I-] |
| InChIKey | PDOGINLRZBKKSN-UHFFFAOYSA-M |
Product Overview
Choline, iodide, 10,11-dihydro-5-hydroxy-5H-benzo(4,5)cyclohepta(1,2-b)pyridine-5-carboxylate (CAS 38914-47-5), with molecular formula C20H25IN2O3 and molecular weight 468.09 g/mol. IUPAC: 2-(2-hydroxy-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carbonyl)oxyethyl-trimethylazanium iodide.
Chemical Property Profile of Choline, iodide, 10,11-dihydro-5-hydroxy-5H-benzo(4,5)cyclohepta(1,2-b)pyridine-5-carboxylate
Property Insights of Choline, iodide, 10,11-dihydro-5-hydroxy-5H-benzo(4,5)cyclohepta(1,2-b)pyridine-5-carboxylate
The XLogP value of -1.3305 indicates that Choline, iodide, 10,11-dihydro-5-hydroxy-5H-benzo(4,5)cyclohepta(1,2-b)pyridine-5-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 59.4 Ų, Choline, iodide, 10,11-dihydro-5-hydroxy-5H-benzo(4,5)cyclohepta(1,2-b)pyridine-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Choline, iodide, 10,11-dihydro-5-hydroxy-5H-benzo(4,5)cyclohepta(1,2-b)pyridine-5-carboxylate has 1 hydrogen bond donor(s) and 5 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 Choline, iodide, 10,11-dihydro-5-hydroxy-5H-benzo(4,5)cyclohepta(1,2-b)pyridine-5-carboxylate?
The CAS number of Choline, iodide, 10,11-dihydro-5-hydroxy-5H-benzo(4,5)cyclohepta(1,2-b)pyridine-5-carboxylate is 38914-47-5.
What is the molecular formula of Choline, iodide, 10,11-dihydro-5-hydroxy-5H-benzo(4,5)cyclohepta(1,2-b)pyridine-5-carboxylate?
The molecular formula of Choline, iodide, 10,11-dihydro-5-hydroxy-5H-benzo(4,5)cyclohepta(1,2-b)pyridine-5-carboxylate is C20H25IN2O3.
What is the molecular weight of Choline, iodide, 10,11-dihydro-5-hydroxy-5H-benzo(4,5)cyclohepta(1,2-b)pyridine-5-carboxylate?
The molecular weight of Choline, iodide, 10,11-dihydro-5-hydroxy-5H-benzo(4,5)cyclohepta(1,2-b)pyridine-5-carboxylate is 468.09 g/mol.
Where can I buy Choline, iodide, 10,11-dihydro-5-hydroxy-5H-benzo(4,5)cyclohepta(1,2-b)pyridine-5-carboxylate?
You can request a quote for Choline, iodide, 10,11-dihydro-5-hydroxy-5H-benzo(4,5)cyclohepta(1,2-b)pyridine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Choline, iodide, 10,11-dihydro-5-hydroxy-5H-benzo(4,5)cyclohepta(1,2-b)pyridine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Choline, iodide, 10,11-dihydro-5-hydroxy-5H-benzo(4,5)cyclohepta(1,2-b)pyridine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.