RefChem:237235
TL;DR: RefChem:237235 (CAS 77796-07-7) is a chemical compound with molecular formula C24H33Cl2F2N3O and molecular weight 487.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[2-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethyl]piperazin-1-yl]ethanol;dihydrochloride
Also Known As: 1H-1-Benzazepine, 2,3,4,5-tetrahydro-8-fluoro-5-(4-fluorophenyl)-1-(2-(4-(2-hydroxyethyl)-1-piperazinyl)ethyl)-, dihydrochloride, 2-[4-[2-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethyl]piperazin-1-yl]ethanoldihydrochloride, 1H-1-BENZAZEPINE, 2,3,4,5-TETRAHYDRO-8-FLUORO-5-(4-FLUOROPHENYL)-1-(2-(4-(2-HYDR, 2-(4-{2-[8-Fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]ethyl}piperazin-1-yl)ethan-1-ol--hydrogen chloride (1/2), 2-[4-[2-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethyl]piperazin-1-yl]ethanol dihydrochloride
| Molecular Formula | C24H33Cl2F2N3O |
|---|---|
| Molecular Weight | 487.20 g/mol |
| LogP | 4.15 |
| Topological Polar Surface Area | 30.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 487.19687 |
| Heavy Atoms | 32 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 77796-07-7 |
|---|---|
| SMILES | C1CC(C2=C(C=C(C=C2)F)N(C1)CCN3CCN(CC3)CCO)C4=CC=C(C=C4)F.Cl.Cl |
| InChIKey | SRBBMOABHXYZII-UHFFFAOYSA-N |
Product Overview
RefChem:237235 (CAS 77796-07-7), with molecular formula C24H33Cl2F2N3O and molecular weight 487.20 g/mol. IUPAC: 2-[4-[2-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethyl]piperazin-1-yl]ethanol;dihydrochloride.
Chemical Property Profile of RefChem:237235
Property Insights of RefChem:237235
The XLogP value of 4.15 indicates that RefChem:237235 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.0 Ų, RefChem:237235 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:237235 has 3 hydrogen bond donor(s) and 6 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:237235?
The CAS number of RefChem:237235 is 77796-07-7.
What is the molecular formula of RefChem:237235?
The molecular formula of RefChem:237235 is C24H33Cl2F2N3O.
What is the molecular weight of RefChem:237235?
The molecular weight of RefChem:237235 is 487.20 g/mol.
Where can I buy RefChem:237235?
You can request a quote for RefChem:237235 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:237235?
Yes, KEHONG BIO provides custom synthesis services for RefChem:237235 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.