RefChem:345086
TL;DR: RefChem:345086 (CAS 35852-20-1) is a chemical compound with molecular formula C21H25NO6 and molecular weight 387.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hydroxy-dimethyl-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)ethyl]azanium;2-hydroxy-2-oxoacetate
Also Known As: Ethylamine, 2-((10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)-N,N-dimethyl-, N-oxide, oxalate, ETHYLAMINE, 2-((10,11-DIHYDRO-5H-DIBENZO(a,d)CYCLOHEPTEN-5-YL)OXY)-N,N-DIMETHYL-, {2-[(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-yl)oxy]ethyl}(hydroxy)di(methyl)ammonium hydrogen ethanedioate, RefChem:345086
| Molecular Formula | C21H25NO6 |
|---|---|
| Molecular Weight | 387.17 g/mol |
| LogP | 1.18 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.16818 |
| Heavy Atoms | 28 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 35852-20-1 |
|---|---|
| SMILES | C[N+](C)(CCOC1C2=CC=CC=C2CCC3=CC=CC=C13)O.C(=O)(C(=O)[O-])O |
| InChIKey | BDUMRGXELFCJEP-UHFFFAOYSA-M |
Product Overview
RefChem:345086 (CAS 35852-20-1), with molecular formula C21H25NO6 and molecular weight 387.17 g/mol. IUPAC: hydroxy-dimethyl-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)ethyl]azanium;2-hydroxy-2-oxoacetate.
Chemical Property Profile of RefChem:345086
Property Insights of RefChem:345086
The XLogP value of 1.18 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:345086. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:345086. Following Lipinski's Rule of Five, RefChem:345086 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:345086?
The CAS number of RefChem:345086 is 35852-20-1.
What is the molecular formula of RefChem:345086?
The molecular formula of RefChem:345086 is C21H25NO6.
What is the molecular weight of RefChem:345086?
The molecular weight of RefChem:345086 is 387.17 g/mol.
Where can I buy RefChem:345086?
You can request a quote for RefChem:345086 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:345086?
Yes, KEHONG BIO provides custom synthesis services for RefChem:345086 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.