RefChem:345114
TL;DR: RefChem:345114 (CAS 15475-50-0) is a chemical compound with molecular formula C23H28ClNO6 and molecular weight 449.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)oxy]ethoxy]ethyl-dimethylazanium;2-hydroxy-2-oxoacetate
Also Known As: Ethylamine, 2-(2-((10,11-dihydro-3-chloro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)ethoxy)-N,N-dimethyl-, oxalate (1:1), ETHYLAMINE, 2-(2-((10,11-DIHYDRO-3-CHLORO-5H-DIBENZO(a,d)CYCLOHEPTEN-5-YL)OXY)ET, RefChem:345114
| Molecular Formula | C23H28ClNO6 |
|---|---|
| Molecular Weight | 449.16 g/mol |
| LogP | 0.53 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 449.16052 |
| Heavy Atoms | 31 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 15475-50-0 |
|---|---|
| SMILES | C[NH+](C)CCOCCOC1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl.C(=O)(C(=O)[O-])O |
| InChIKey | AURFLKOYAIUJIM-UHFFFAOYSA-N |
Product Overview
RefChem:345114 (CAS 15475-50-0), with molecular formula C23H28ClNO6 and molecular weight 449.16 g/mol. IUPAC: 2-[2-[(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)oxy]ethoxy]ethyl-dimethylazanium;2-hydroxy-2-oxoacetate.
Chemical Property Profile of RefChem:345114
Property Insights of RefChem:345114
The XLogP value of 0.53 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:345114. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:345114. Following Lipinski's Rule of Five, RefChem:345114 has 2 hydrogen bond donor(s) and 6 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:345114?
The CAS number of RefChem:345114 is 15475-50-0.
What is the molecular formula of RefChem:345114?
The molecular formula of RefChem:345114 is C23H28ClNO6.
What is the molecular weight of RefChem:345114?
The molecular weight of RefChem:345114 is 449.16 g/mol.
Where can I buy RefChem:345114?
You can request a quote for RefChem:345114 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:345114?
Yes, KEHONG BIO provides custom synthesis services for RefChem:345114 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.