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1,4-Bis[3-(4-fluorophenyl)acryloyl]-1,4-diazepane
TL;DR: 1,4-Bis[3-(4-fluorophenyl)acryloyl]-1,4-diazepane (CAS 1164561-53-8) is a chemical compound with molecular formula C23H22F2N2O2 and molecular weight 396.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-fluorophenyl)-1-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-1,4-diazepan-1-yl]prop-2-en-1-one
Also Known As: 1,4-bis[3-(4-fluorophenyl)acryloyl]-1,4-diazepane, (E)-3-(4-fluorophenyl)-1-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-1,4-diazepan-1-yl]prop-2-en-1-one, (2E,2'E)-1,1'-(1,4-diazepane-1,4-diyl)bis[3-(4-fluorophenyl)prop-2-en-1-one], (2E)-1-{4-[(2E)-3-(4-fluorophenyl)prop-2-enoyl](1,4-diazaperhydroepinyl)}-3-(4 -fluorophenyl)prop-2-en-1-one
| Molecular Formula | C23H22F2N2O2 |
|---|---|
| Molecular Weight | 396.16 g/mol |
| LogP | 3.7523 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.16495 |
| Heavy Atoms | 29 |
| Complexity | 829.98 |
Chemical Identifiers
| CAS Number | 1164561-53-8 |
|---|---|
| SMILES | C1CN(CCN(C1)C(=O)/C=C/C2=CC=C(C=C2)F)C(=O)/C=C/C3=CC=C(C=C3)F |
Product Overview
1,4-Bis[3-(4-fluorophenyl)acryloyl]-1,4-diazepane (CAS 1164561-53-8), with molecular formula C23H22F2N2O2 and molecular weight 396.16 g/mol. IUPAC: (E)-3-(4-fluorophenyl)-1-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-1,4-diazepan-1-yl]prop-2-en-1-one.
Chemical Property Profile of 1,4-Bis[3-(4-fluorophenyl)acryloyl]-1,4-diazepane
Property Insights of 1,4-Bis[3-(4-fluorophenyl)acryloyl]-1,4-diazepane
The XLogP value of 3.7523 indicates that 1,4-Bis[3-(4-fluorophenyl)acryloyl]-1,4-diazepane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.62 Ų, 1,4-Bis[3-(4-fluorophenyl)acryloyl]-1,4-diazepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Bis[3-(4-fluorophenyl)acryloyl]-1,4-diazepane has 0 hydrogen bond donor(s) and 2 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 1,4-Bis[3-(4-fluorophenyl)acryloyl]-1,4-diazepane?
The CAS number of 1,4-Bis[3-(4-fluorophenyl)acryloyl]-1,4-diazepane is 1164561-53-8.
What is the molecular formula of 1,4-Bis[3-(4-fluorophenyl)acryloyl]-1,4-diazepane?
The molecular formula of 1,4-Bis[3-(4-fluorophenyl)acryloyl]-1,4-diazepane is C23H22F2N2O2.
What is the molecular weight of 1,4-Bis[3-(4-fluorophenyl)acryloyl]-1,4-diazepane?
The molecular weight of 1,4-Bis[3-(4-fluorophenyl)acryloyl]-1,4-diazepane is 396.16 g/mol.
Where can I buy 1,4-Bis[3-(4-fluorophenyl)acryloyl]-1,4-diazepane?
You can request a quote for 1,4-Bis[3-(4-fluorophenyl)acryloyl]-1,4-diazepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Bis[3-(4-fluorophenyl)acryloyl]-1,4-diazepane?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Bis[3-(4-fluorophenyl)acryloyl]-1,4-diazepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.