1,4-Bis(4-methylbenzoyl)-1,4-diazepane
TL;DR: 1,4-Bis(4-methylbenzoyl)-1,4-diazepane (CAS 548441-79-8) is a chemical compound with molecular formula C21H24N2O2 and molecular weight 336.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-(4-methylphenyl)methanone
Also Known As: 1,4-bis(4-methylbenzoyl)-1,4-diazepane, (1,4-diazepane-1,4-diyl)bis(p-tolylmethanone), 1,4-diazepane-1,4-diylbis[(4-methylphenyl)methanone], [4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-(4-methylphenyl)methanone, 4-methylphenyl 4-[(4-methylphenyl)carbonyl](1,4-diazaperhydroepinyl) ketone
| Molecular Formula | C21H24N2O2 |
|---|---|
| Molecular Weight | 336.18 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.18378 |
| Heavy Atoms | 25 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 548441-79-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)N2CCCN(CC2)C(=O)C3=CC=C(C=C3)C |
| InChIKey | AWCDYQKWSBGEIU-UHFFFAOYSA-N |
Product Overview
1,4-Bis(4-methylbenzoyl)-1,4-diazepane (CAS 548441-79-8), with molecular formula C21H24N2O2 and molecular weight 336.18 g/mol. IUPAC: [4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-(4-methylphenyl)methanone.
Chemical Property Profile of 1,4-Bis(4-methylbenzoyl)-1,4-diazepane
Property Insights of 1,4-Bis(4-methylbenzoyl)-1,4-diazepane
The XLogP value of 3.4 indicates that 1,4-Bis(4-methylbenzoyl)-1,4-diazepane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.6 Ų, 1,4-Bis(4-methylbenzoyl)-1,4-diazepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Bis(4-methylbenzoyl)-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(4-methylbenzoyl)-1,4-diazepane?
The CAS number of 1,4-Bis(4-methylbenzoyl)-1,4-diazepane is 548441-79-8.
What is the molecular formula of 1,4-Bis(4-methylbenzoyl)-1,4-diazepane?
The molecular formula of 1,4-Bis(4-methylbenzoyl)-1,4-diazepane is C21H24N2O2.
What is the molecular weight of 1,4-Bis(4-methylbenzoyl)-1,4-diazepane?
The molecular weight of 1,4-Bis(4-methylbenzoyl)-1,4-diazepane is 336.18 g/mol.
Where can I buy 1,4-Bis(4-methylbenzoyl)-1,4-diazepane?
You can request a quote for 1,4-Bis(4-methylbenzoyl)-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(4-methylbenzoyl)-1,4-diazepane?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Bis(4-methylbenzoyl)-1,4-diazepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.