RefChem:1085164
TL;DR: RefChem:1085164 (CAS 861-48-3) is a chemical compound with molecular formula C24H29NO5 and molecular weight 411.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[2-(2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaenyloxy)ethyl]azanium;(E)-4-hydroxy-4-oxobut-2-enoate
Also Known As: Ethylamine, N,N-dimethyl-2-((5,6,11,12-tetrahydrodibenzo(a,e)cycloocten-5-yl)oxy)-, fumarate (1:1), 5-(2-(Dimethylamino)ethoxy)-5,6,11,12-tetrahydrodibenzo(a,e)cyclooctene fumarate, RefChem:1085164
| Molecular Formula | C24H29NO5 |
|---|---|
| Molecular Weight | 411.20 g/mol |
| LogP | 0.6072 |
| Topological Polar Surface Area | 91.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.20456 |
| Heavy Atoms | 30 |
| Complexity | 859.40497 |
Chemical Identifiers
| CAS Number | 861-48-3 |
|---|---|
| SMILES | C[NH+](C)CCOC1CC2=CC=CC=C2CCC3=CC=CC=C13.C(=C/C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1085164 (CAS 861-48-3), with molecular formula C24H29NO5 and molecular weight 411.20 g/mol. IUPAC: dimethyl-[2-(2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaenyloxy)ethyl]azanium;(E)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of RefChem:1085164
Property Insights of RefChem:1085164
The XLogP value of 0.6072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1085164. The TPSA of 91.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1085164. Following Lipinski's Rule of Five, RefChem:1085164 has 2 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 RefChem:1085164?
The CAS number of RefChem:1085164 is 861-48-3.
What is the molecular formula of RefChem:1085164?
The molecular formula of RefChem:1085164 is C24H29NO5.
What is the molecular weight of RefChem:1085164?
The molecular weight of RefChem:1085164 is 411.20 g/mol.
Where can I buy RefChem:1085164?
You can request a quote for RefChem:1085164 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1085164?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1085164 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.