1,4-Bis(4-tert-butylbenzoyl)-1,4-diazepane
TL;DR: 1,4-Bis(4-tert-butylbenzoyl)-1,4-diazepane (CAS 548452-22-8) is a chemical compound with molecular formula C27H36N2O2 and molecular weight 420.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-tert-butylbenzoyl)-1,4-diazepan-1-yl]-(4-tert-butylphenyl)methanone
Also Known As: 1,4-bis(4-tert-butylbenzoyl)-1,4-diazepane, [4-(4-tert-butylbenzoyl)-1,4-diazepan-1-yl]-(4-tert-butylphenyl)methanone, 1,4-diazepane-1,4-diylbis[(4-tert-butylphenyl)methanone], 4-(tert-butyl)phenyl 4-{[4-(tert-butyl)phenyl]carbonyl}(1,4-diazaperhydroepiny l) ketone
| Molecular Formula | C27H36N2O2 |
|---|---|
| Molecular Weight | 420.28 g/mol |
| LogP | 5.2699 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 420.27768 |
| Heavy Atoms | 31 |
| Complexity | 838.19415 |
Chemical Identifiers
| CAS Number | 548452-22-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)C(=O)C3=CC=C(C=C3)C(C)(C)C |
Product Overview
1,4-Bis(4-tert-butylbenzoyl)-1,4-diazepane (CAS 548452-22-8), with molecular formula C27H36N2O2 and molecular weight 420.28 g/mol. IUPAC: [4-(4-tert-butylbenzoyl)-1,4-diazepan-1-yl]-(4-tert-butylphenyl)methanone.
Chemical Property Profile of 1,4-Bis(4-tert-butylbenzoyl)-1,4-diazepane
Property Insights of 1,4-Bis(4-tert-butylbenzoyl)-1,4-diazepane
The XLogP value of 5.2699 indicates that 1,4-Bis(4-tert-butylbenzoyl)-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(4-tert-butylbenzoyl)-1,4-diazepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Bis(4-tert-butylbenzoyl)-1,4-diazepane 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 1,4-Bis(4-tert-butylbenzoyl)-1,4-diazepane?
The CAS number of 1,4-Bis(4-tert-butylbenzoyl)-1,4-diazepane is 548452-22-8.
What is the molecular formula of 1,4-Bis(4-tert-butylbenzoyl)-1,4-diazepane?
The molecular formula of 1,4-Bis(4-tert-butylbenzoyl)-1,4-diazepane is C27H36N2O2.
What is the molecular weight of 1,4-Bis(4-tert-butylbenzoyl)-1,4-diazepane?
The molecular weight of 1,4-Bis(4-tert-butylbenzoyl)-1,4-diazepane is 420.28 g/mol.
Where can I buy 1,4-Bis(4-tert-butylbenzoyl)-1,4-diazepane?
You can request a quote for 1,4-Bis(4-tert-butylbenzoyl)-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-tert-butylbenzoyl)-1,4-diazepane?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Bis(4-tert-butylbenzoyl)-1,4-diazepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.