RefChem:237233
TL;DR: RefChem:237233 (CAS 77795-96-1) is a chemical compound with molecular formula C24H26F2N2O5 and molecular weight 460.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-pyrrolidin-1-ium-1-ylethanone;2-hydroxy-2-oxoacetate
Also Known As: 1H-1-Benzazepine, 2,3,4,5-tetrahydro-8-fluoro-5-(4-fluorophenyl)-1-(1-pyrrolidinylacetyl)-, ethanedioate (1:1), 1-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-pyrrolidin-1-ium-1-ylethanone;2-hydroxy-2-oxoacetate, 1H-1-BENZAZEPINE, 2,3,4,5-TETRAHYDRO-8-FLUORO-5-(4-FLUOROPHENYL)-1-(1-PYRROLIDIN, 1-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-pyrrolidin-1-ium-1-ylethanone; 2-hydroxy-2-oxoacetate, RefChem:237233
| Molecular Formula | C24H26F2N2O5 |
|---|---|
| Molecular Weight | 460.18 g/mol |
| LogP | 0.72 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 460.18097 |
| Heavy Atoms | 33 |
| Complexity | 581.0 |
Chemical Identifiers
| CAS Number | 77795-96-1 |
|---|---|
| SMILES | C1CC[NH+](C1)CC(=O)N2CCCC(C3=C2C=C(C=C3)F)C4=CC=C(C=C4)F.C(=O)(C(=O)[O-])O |
| InChIKey | IFQPDXFRMOFCFD-UHFFFAOYSA-N |
Product Overview
RefChem:237233 (CAS 77795-96-1), with molecular formula C24H26F2N2O5 and molecular weight 460.18 g/mol. IUPAC: 1-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-pyrrolidin-1-ium-1-ylethanone;2-hydroxy-2-oxoacetate.
Chemical Property Profile of RefChem:237233
Property Insights of RefChem:237233
The XLogP value of 0.72 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:237233. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:237233. Following Lipinski's Rule of Five, RefChem:237233 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:237233?
The CAS number of RefChem:237233 is 77795-96-1.
What is the molecular formula of RefChem:237233?
The molecular formula of RefChem:237233 is C24H26F2N2O5.
What is the molecular weight of RefChem:237233?
The molecular weight of RefChem:237233 is 460.18 g/mol.
Where can I buy RefChem:237233?
You can request a quote for RefChem:237233 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:237233?
Yes, KEHONG BIO provides custom synthesis services for RefChem:237233 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.