Phenol, o-(5-(2-(diethylamino)ethyl)-1,2,4-oxadiazol-3-yl)-, citrate
TL;DR: Phenol, o-(5-(2-(diethylamino)ethyl)-1,2,4-oxadiazol-3-yl)-, citrate (CAS 101952-85-6) is a chemical compound with molecular formula C20H27N3O9 and molecular weight 453.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-3-yl]phenol;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: o-(5-(2-(Diethylamino)ethyl)-1,2,4-oxadiazol-3-yl)phenol citrate, Phenol, o-(5-(2-(diethylamino)ethyl)-1,2,4-oxadiazol-3-yl)-, citrate, 5-beta-Dietilaminoetil-3-o-ossifenil-1,2,4-oxadiazolo citrato [Italian], 5-beta-Dietilaminoetil-3-o-ossifenil-1,2,4-oxadiazolo citrato, (6E)-6-[5-(2-diethylaminoethyl)-1,2,4-oxadiazol-3-ylidene]cyclohexa-2,4-dien-1-one; 2-hydroxypropane-1,2,3-tricarboxylic acid
| Molecular Formula | C20H27N3O9 |
|---|---|
| Molecular Weight | 453.17 g/mol |
| LogP | 1.078 |
| Topological Polar Surface Area | 194.52 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 453.17474 |
| Heavy Atoms | 32 |
| Complexity | 893.2254 |
Chemical Identifiers
| CAS Number | 101952-85-6 |
|---|---|
| SMILES | CCN(CC)CCC1=NC(=NO1)C2=CC=CC=C2O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
Product Overview
Phenol, o-(5-(2-(diethylamino)ethyl)-1,2,4-oxadiazol-3-yl)-, citrate (CAS 101952-85-6), with molecular formula C20H27N3O9 and molecular weight 453.17 g/mol. IUPAC: 2-[5-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-3-yl]phenol;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of Phenol, o-(5-(2-(diethylamino)ethyl)-1,2,4-oxadiazol-3-yl)-, citrate
Property Insights of Phenol, o-(5-(2-(diethylamino)ethyl)-1,2,4-oxadiazol-3-yl)-, citrate
The XLogP value of 1.078 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenol, o-(5-(2-(diethylamino)ethyl)-1,2,4-oxadiazol-3-yl)-, citrate. The TPSA of 194.52 Ų indicates high polarity, suggesting Phenol, o-(5-(2-(diethylamino)ethyl)-1,2,4-oxadiazol-3-yl)-, citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phenol, o-(5-(2-(diethylamino)ethyl)-1,2,4-oxadiazol-3-yl)-, citrate has 5 hydrogen bond donor(s) and 9 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 Phenol, o-(5-(2-(diethylamino)ethyl)-1,2,4-oxadiazol-3-yl)-, citrate?
The CAS number of Phenol, o-(5-(2-(diethylamino)ethyl)-1,2,4-oxadiazol-3-yl)-, citrate is 101952-85-6.
What is the molecular formula of Phenol, o-(5-(2-(diethylamino)ethyl)-1,2,4-oxadiazol-3-yl)-, citrate?
The molecular formula of Phenol, o-(5-(2-(diethylamino)ethyl)-1,2,4-oxadiazol-3-yl)-, citrate is C20H27N3O9.
What is the molecular weight of Phenol, o-(5-(2-(diethylamino)ethyl)-1,2,4-oxadiazol-3-yl)-, citrate?
The molecular weight of Phenol, o-(5-(2-(diethylamino)ethyl)-1,2,4-oxadiazol-3-yl)-, citrate is 453.17 g/mol.
Where can I buy Phenol, o-(5-(2-(diethylamino)ethyl)-1,2,4-oxadiazol-3-yl)-, citrate?
You can request a quote for Phenol, o-(5-(2-(diethylamino)ethyl)-1,2,4-oxadiazol-3-yl)-, citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, o-(5-(2-(diethylamino)ethyl)-1,2,4-oxadiazol-3-yl)-, citrate?
Yes, KEHONG BIO provides custom synthesis services for Phenol, o-(5-(2-(diethylamino)ethyl)-1,2,4-oxadiazol-3-yl)-, citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.