RefChem:1073417
TL;DR: RefChem:1073417 (CAS 17895-96-4) is a chemical compound with molecular formula C22H26N2O5 and molecular weight 398.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yloxy)ethyl-dimethylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: 5H-Benzo(4,5)cyclohepta(1,2-b)pyridine, 10,11-dihydro-5-(2-(dimethylamino)ethoxy)-, hydrogen maleate, 5H-BENZO(4,5)CYCLOHEPTA(1,2-b)PYRIDINE, 10,11-DIHYDRO-5-(2-(DIMETHYLAMINO)ETHOXY, Ethanamine, 2-[(10,11-dihydro-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-5-yl)oxy]-N,N-dimethyl-, (Z)-2-butenedioate (1:1), RefChem:1073417
| Molecular Formula | C22H26N2O5 |
|---|---|
| Molecular Weight | 398.18 g/mol |
| LogP | -0.1922 |
| Topological Polar Surface Area | 103.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.18417 |
| Heavy Atoms | 29 |
| Complexity | 800.2861 |
Chemical Identifiers
| CAS Number | 17895-96-4 |
|---|---|
| SMILES | C[NH+](C)CCOC1C2=C(CCC3=CC=CC=C13)N=CC=C2.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1073417 (CAS 17895-96-4), with molecular formula C22H26N2O5 and molecular weight 398.18 g/mol. IUPAC: 2-(7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yloxy)ethyl-dimethylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of RefChem:1073417
Property Insights of RefChem:1073417
The XLogP value of -0.1922 indicates that RefChem:1073417 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 103.99 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1073417. Following Lipinski's Rule of Five, RefChem:1073417 has 2 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 RefChem:1073417?
The CAS number of RefChem:1073417 is 17895-96-4.
What is the molecular formula of RefChem:1073417?
The molecular formula of RefChem:1073417 is C22H26N2O5.
What is the molecular weight of RefChem:1073417?
The molecular weight of RefChem:1073417 is 398.18 g/mol.
Where can I buy RefChem:1073417?
You can request a quote for RefChem:1073417 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1073417?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1073417 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.