RefChem:237234
TL;DR: RefChem:237234 (CAS 77795-98-3) is a chemical compound with molecular formula C22H28Cl2F2N2 and molecular weight 428.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-fluoro-5-(4-fluorophenyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-ium dichloride
Also Known As: C22H26F2N2.3/2ClH.1/2H2O, 1H-1-Benzazepine, 2,3,4,5-tetrahydro-8-fluoro-5-(4-fluorophenyl)-1-(2-(1-pyrrolidinyl)ethyl)-, hydrochloride, hydrate (2:3:1), C22-H26-F2-N2.3/2Cl-H.1/2H2-O, 8-fluoro-5-(4-fluorophenyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-ium dichloride, 1H-1-BENZAZEPINE, 2,3,4,5-TETRAHYDRO-8-FLUORO-5-(4-FLUOROPHENYL)-1-(2-(1-PYRROLI
| Molecular Formula | C22H28Cl2F2N2 |
|---|---|
| Molecular Weight | 428.16 g/mol |
| LogP | -3.91 |
| Topological Polar Surface Area | 8.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 428.15976 |
| Heavy Atoms | 28 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 77795-98-3 |
|---|---|
| SMILES | C1CC[NH+](C1)CC[NH+]2CCCC(C3=C2C=C(C=C3)F)C4=CC=C(C=C4)F.[Cl-].[Cl-] |
| InChIKey | FXIXBJPWEQCBHS-UHFFFAOYSA-N |
Product Overview
RefChem:237234 (CAS 77795-98-3), with molecular formula C22H28Cl2F2N2 and molecular weight 428.16 g/mol. IUPAC: 8-fluoro-5-(4-fluorophenyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-ium dichloride.
Chemical Property Profile of RefChem:237234
Property Insights of RefChem:237234
The XLogP value of -3.91 indicates that RefChem:237234 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 8.9 Ų, RefChem:237234 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:237234 has 2 hydrogen bond donor(s) and 4 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:237234?
The CAS number of RefChem:237234 is 77795-98-3.
What is the molecular formula of RefChem:237234?
The molecular formula of RefChem:237234 is C22H28Cl2F2N2.
What is the molecular weight of RefChem:237234?
The molecular weight of RefChem:237234 is 428.16 g/mol.
Where can I buy RefChem:237234?
You can request a quote for RefChem:237234 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:237234?
Yes, KEHONG BIO provides custom synthesis services for RefChem:237234 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.