![2-Ethyl-1-[4-(2-ethylhexanoyl)-1,4-diazepan-1-yl]hexan-1-one structure](/static/products/5487/548780-91-2.webp)
2-Ethyl-1-[4-(2-ethylhexanoyl)-1,4-diazepan-1-yl]hexan-1-one
TL;DR: 2-Ethyl-1-[4-(2-ethylhexanoyl)-1,4-diazepan-1-yl]hexan-1-one (CAS 548780-91-2) is a chemical compound with molecular formula C21H40N2O2 and molecular weight 352.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-1-[4-(2-ethylhexanoyl)-1,4-diazepan-1-yl]hexan-1-one
Also Known As: 1,1'-(1,4-diazepane-1,4-diyl)bis(2-ethylhexan-1-one), 2-ethyl-1-[4-(2-ethylhexanoyl)-1,4-diazepan-1-yl]hexan-1-one, 2-ethyl-1-[4-(2-ethylhexanoyl)(1,4-diazaperhydroepinyl)]hexan-1-one, Hexan-1-one, 2-ethyl-1-[4-(2-ethylhexanoyl)-[1,4]diazepan-1-yl]-
| Molecular Formula | C21H40N2O2 |
|---|---|
| Molecular Weight | 352.31 g/mol |
| LogP | 4.4801 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 352.309 |
| Heavy Atoms | 25 |
| Complexity | 361.3573 |
Chemical Identifiers
| CAS Number | 548780-91-2 |
|---|---|
| SMILES | CCCCC(CC)C(=O)N1CCCN(CC1)C(=O)C(CC)CCCC |
Product Overview
2-Ethyl-1-[4-(2-ethylhexanoyl)-1,4-diazepan-1-yl]hexan-1-one (CAS 548780-91-2), with molecular formula C21H40N2O2 and molecular weight 352.31 g/mol. IUPAC: 2-ethyl-1-[4-(2-ethylhexanoyl)-1,4-diazepan-1-yl]hexan-1-one.
Chemical Property Profile of 2-Ethyl-1-[4-(2-ethylhexanoyl)-1,4-diazepan-1-yl]hexan-1-one
Property Insights of 2-Ethyl-1-[4-(2-ethylhexanoyl)-1,4-diazepan-1-yl]hexan-1-one
The XLogP value of 4.4801 indicates that 2-Ethyl-1-[4-(2-ethylhexanoyl)-1,4-diazepan-1-yl]hexan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.62 Ų, 2-Ethyl-1-[4-(2-ethylhexanoyl)-1,4-diazepan-1-yl]hexan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyl-1-[4-(2-ethylhexanoyl)-1,4-diazepan-1-yl]hexan-1-one 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 2-Ethyl-1-[4-(2-ethylhexanoyl)-1,4-diazepan-1-yl]hexan-1-one?
The CAS number of 2-Ethyl-1-[4-(2-ethylhexanoyl)-1,4-diazepan-1-yl]hexan-1-one is 548780-91-2.
What is the molecular formula of 2-Ethyl-1-[4-(2-ethylhexanoyl)-1,4-diazepan-1-yl]hexan-1-one?
The molecular formula of 2-Ethyl-1-[4-(2-ethylhexanoyl)-1,4-diazepan-1-yl]hexan-1-one is C21H40N2O2.
What is the molecular weight of 2-Ethyl-1-[4-(2-ethylhexanoyl)-1,4-diazepan-1-yl]hexan-1-one?
The molecular weight of 2-Ethyl-1-[4-(2-ethylhexanoyl)-1,4-diazepan-1-yl]hexan-1-one is 352.31 g/mol.
Where can I buy 2-Ethyl-1-[4-(2-ethylhexanoyl)-1,4-diazepan-1-yl]hexan-1-one?
You can request a quote for 2-Ethyl-1-[4-(2-ethylhexanoyl)-1,4-diazepan-1-yl]hexan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyl-1-[4-(2-ethylhexanoyl)-1,4-diazepan-1-yl]hexan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-1-[4-(2-ethylhexanoyl)-1,4-diazepan-1-yl]hexan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.