RefChem:1058761
TL;DR: RefChem:1058761 (CAS 52867-78-4) is a chemical compound with molecular formula C19H23FN2O6 and molecular weight 394.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;5-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-3H-1,3-oxazol-2-one
Also Known As: LR 534, 2(3H)-Oxazolone, 5-(2-(diethylamino)ethyl)-4-(4-fluorophenyl)-, (Z)-2-butenedioate (1:1), 5-(2-(Diethylamino)ethyl)-4-(4-fluorophenyl)-2(3H)-oxazolone (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 5-(2-diethylaminoethyl)-4-(4-fluorophenyl)-3H-1,3-oxazol-2-one
| Molecular Formula | C19H23FN2O6 |
|---|---|
| Molecular Weight | 394.15 g/mol |
| LogP | 2.3701 |
| Topological Polar Surface Area | 123.84 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 394.15402 |
| Heavy Atoms | 28 |
| Complexity | 834.05396 |
Chemical Identifiers
| CAS Number | 52867-78-4 |
|---|---|
| SMILES | CCN(CC)CCC1=C(NC(=O)O1)C2=CC=C(C=C2)F.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1058761 (CAS 52867-78-4), with molecular formula C19H23FN2O6 and molecular weight 394.15 g/mol. IUPAC: (E)-but-2-enedioic acid;5-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-3H-1,3-oxazol-2-one.
Chemical Property Profile of RefChem:1058761
Property Insights of RefChem:1058761
The XLogP value of 2.3701 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1058761. The TPSA of 123.84 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058761. Following Lipinski's Rule of Five, RefChem:1058761 has 3 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:1058761?
The CAS number of RefChem:1058761 is 52867-78-4.
What is the molecular formula of RefChem:1058761?
The molecular formula of RefChem:1058761 is C19H23FN2O6.
What is the molecular weight of RefChem:1058761?
The molecular weight of RefChem:1058761 is 394.15 g/mol.
Where can I buy RefChem:1058761?
You can request a quote for RefChem:1058761 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058761?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058761 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.