RefChem:237224
TL;DR: RefChem:237224 (CAS 77795-94-9) is a chemical compound with molecular formula C24H28F2N2O5 and molecular weight 462.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-oxoethyl]azanium;2-hydroxy-2-oxoacetate
Also Known As: 1H-1-Benzazepine, 2,3,4,5-tetrahydro-1-((diethylamino)acetyl)-8-fluoro-5-(4-fluorophenyl)-, ethanedioate (1:1), diethyl-[2-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-oxoethyl]azanium;2-hydroxy-2-oxoacetate, 1H-1-BENZAZEPINE, 2,3,4,5-TETRAHYDRO-1-((DIETHYLAMINO)ACETYL)-8-FLUORO-5-(4-FLUO, diethyl-[2-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-oxoethyl]azanium; 2-hydroxy-2-oxoacetate, RefChem:237224
| Molecular Formula | C24H28F2N2O5 |
|---|---|
| Molecular Weight | 462.20 g/mol |
| LogP | 0.97 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.19662 |
| Heavy Atoms | 33 |
| Complexity | 555.0 |
Chemical Identifiers
| CAS Number | 77795-94-9 |
|---|---|
| SMILES | CC[NH+](CC)CC(=O)N1CCCC(C2=C1C=C(C=C2)F)C3=CC=C(C=C3)F.C(=O)(C(=O)[O-])O |
| InChIKey | FOUVWZBUTXSEJY-UHFFFAOYSA-N |
Product Overview
RefChem:237224 (CAS 77795-94-9), with molecular formula C24H28F2N2O5 and molecular weight 462.20 g/mol. IUPAC: diethyl-[2-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-oxoethyl]azanium;2-hydroxy-2-oxoacetate.
Chemical Property Profile of RefChem:237224
Property Insights of RefChem:237224
The XLogP value of 0.97 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:237224. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:237224. Following Lipinski's Rule of Five, RefChem:237224 has 2 hydrogen bond donor(s) and 7 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:237224?
The CAS number of RefChem:237224 is 77795-94-9.
What is the molecular formula of RefChem:237224?
The molecular formula of RefChem:237224 is C24H28F2N2O5.
What is the molecular weight of RefChem:237224?
The molecular weight of RefChem:237224 is 462.20 g/mol.
Where can I buy RefChem:237224?
You can request a quote for RefChem:237224 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:237224?
Yes, KEHONG BIO provides custom synthesis services for RefChem:237224 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.