RefChem:237226
TL;DR: RefChem:237226 (CAS 77795-97-2) is a chemical compound with molecular formula C22H29ClF2N2 and molecular weight 394.20 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]ethyl]azanium chloride
Also Known As: diethyl-[2-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethyl]azanium chloride, 1H-1-Benzazepine, 2,3,4,5-tetrahydro-1-(2-(diethylamino)ethyl)-8-fluoro-5-(4-fluorophenyl)-, monohydrochloride, 2,3,4,5-Tetrahydro-1-(2-(diethylamino)ethyl)-8-fluoro-5-(4-fluorophenyl)-1H-1-benzazepine HCl, 1H-1-BENZAZEPINE, 2,3,4,5-TETRAHYDRO-1-(2-(DIETHYLAMINO)ETHYL)-8-FLUORO-5-(4-FLU, diethyl-[2-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethyl]azanium,chloride
| Molecular Formula | C22H29ClF2N2 |
|---|---|
| Molecular Weight | 394.20 g/mol |
| LogP | 0.63 |
| Topological Polar Surface Area | 7.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.19873 |
| Heavy Atoms | 27 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 77795-97-2 |
|---|---|
| SMILES | CC[NH+](CC)CCN1CCCC(C2=C1C=C(C=C2)F)C3=CC=C(C=C3)F.[Cl-] |
| InChIKey | AGHYMYFMXPEUQN-UHFFFAOYSA-N |
Product Overview
RefChem:237226 (CAS 77795-97-2), with molecular formula C22H29ClF2N2 and molecular weight 394.20 g/mol. IUPAC: diethyl-[2-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethyl]azanium chloride.
Chemical Property Profile of RefChem:237226
Property Insights of RefChem:237226
The XLogP value of 0.63 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:237226. With a topological polar surface area (TPSA) of 7.7 Ų, RefChem:237226 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:237226 has 1 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:237226?
The CAS number of RefChem:237226 is 77795-97-2.
What is the molecular formula of RefChem:237226?
The molecular formula of RefChem:237226 is C22H29ClF2N2.
What is the molecular weight of RefChem:237226?
The molecular weight of RefChem:237226 is 394.20 g/mol.
Where can I buy RefChem:237226?
You can request a quote for RefChem:237226 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:237226?
Yes, KEHONG BIO provides custom synthesis services for RefChem:237226 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.