RefChem:296826
TL;DR: RefChem:296826 (CAS 77796-14-6) is a chemical compound with molecular formula C24H19F2N3 and molecular weight 387.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-9-fluoro-6-(4-fluorophenyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepine
Also Known As: 1-benzyl-9-fluoro-6-(4-fluorophenyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepine, AE-641/00192005, 4H-(1,2,4)Triazolo(4,3-a)(1)benzazepine, 5,6-dihydro-9-fluoro-6-(4-fluorophenyl)-1-(phenylmethyl)-, BRN 4586671, RefChem:296826
| Molecular Formula | C24H19F2N3 |
|---|---|
| Molecular Weight | 387.15 g/mol |
| LogP | 5.2144 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.1547 |
| Heavy Atoms | 29 |
| Complexity | 1150.7267 |
Chemical Identifiers
| CAS Number | 77796-14-6 |
|---|---|
| SMILES | C1CC2=NN=C(N2C3=C(C1C4=CC=C(C=C4)F)C=CC(=C3)F)CC5=CC=CC=C5 |
Product Overview
RefChem:296826 (CAS 77796-14-6), with molecular formula C24H19F2N3 and molecular weight 387.15 g/mol. IUPAC: 1-benzyl-9-fluoro-6-(4-fluorophenyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepine.
Chemical Property Profile of RefChem:296826
Property Insights of RefChem:296826
The XLogP value of 5.2144 indicates that RefChem:296826 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, RefChem:296826 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:296826 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:296826?
The CAS number of RefChem:296826 is 77796-14-6.
What is the molecular formula of RefChem:296826?
The molecular formula of RefChem:296826 is C24H19F2N3.
What is the molecular weight of RefChem:296826?
The molecular weight of RefChem:296826 is 387.15 g/mol.
Where can I buy RefChem:296826?
You can request a quote for RefChem:296826 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:296826?
Yes, KEHONG BIO provides custom synthesis services for RefChem:296826 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.