RefChem:237232
TL;DR: RefChem:237232 (CAS 77796-02-2) is a chemical compound with molecular formula C23H29Cl2F2N3O and molecular weight 471.17 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-(4-methylpiperazin-1-yl)ethanone;dihydrochloride
Also Known As: 1H-1-Benzazepine, 2,3,4,5-tetrahydro-8-fluoro-5-(4-fluorophenyl)-1-((4-methyl-1-piperazinyl)acetyl)-, dihydrochloride, 1-[8-Fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-(4-methylpiperazin-1-yl)ethanonedihydrochloride, 1-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone dihydrochloride, 1-[8-Fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]-2-(4-methylpiperazin-1-yl)ethan-1-one--hydrogen chloride (1/2), 1H-1-BENZAZEPINE, 2,3,4,5-TETRAHYDRO-8-FLUORO-5-(4-FLUOROPHENYL)-1-((4-METHYL-1-
| Molecular Formula | C23H29Cl2F2N3O |
|---|---|
| Molecular Weight | 471.17 g/mol |
| LogP | 4.31 |
| Topological Polar Surface Area | 26.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 471.1656 |
| Heavy Atoms | 31 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 77796-02-2 |
|---|---|
| SMILES | CN1CCN(CC1)CC(=O)N2CCCC(C3=C2C=C(C=C3)F)C4=CC=C(C=C4)F.Cl.Cl |
| InChIKey | BNMNXDJWGFKVJL-UHFFFAOYSA-N |
Product Overview
RefChem:237232 (CAS 77796-02-2), with molecular formula C23H29Cl2F2N3O and molecular weight 471.17 g/mol. IUPAC: 1-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone;dihydrochloride.
Chemical Property Profile of RefChem:237232
Property Insights of RefChem:237232
The XLogP value of 4.31 indicates that RefChem:237232 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.8 Ų, RefChem:237232 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:237232 has 2 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:237232?
The CAS number of RefChem:237232 is 77796-02-2.
What is the molecular formula of RefChem:237232?
The molecular formula of RefChem:237232 is C23H29Cl2F2N3O.
What is the molecular weight of RefChem:237232?
The molecular weight of RefChem:237232 is 471.17 g/mol.
Where can I buy RefChem:237232?
You can request a quote for RefChem:237232 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:237232?
Yes, KEHONG BIO provides custom synthesis services for RefChem:237232 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.