1,6-Hexanedione, 1,6-bis(hexahydro-2-oxo-1H-azepin-1-yl)-
TL;DR: 1,6-Hexanedione, 1,6-bis(hexahydro-2-oxo-1H-azepin-1-yl)- (CAS 3217-52-5) is a chemical compound with molecular formula C18H28N2O4 and molecular weight 336.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,6-bis(2-oxoazepan-1-yl)hexane-1,6-dione
Also Known As: 1,6-bis(2-oxoazepan-1-yl)hexane-1,6-dione, 1,1'-hexanedioyl-bis-azepan-2-one, 1,6-Hexanedione, 1,6-bis(hexahydro-2-oxo-1H-azepin-1-yl)-, 2H-Azepin-2-one, 1,1'-(1,6-dioxo-1,6-hexanediyl)bis(hexahydro-, 2H-Azepin-2-one, 1,1'-(1,6-dioxo-1,6-hexanediyl)bis[hexahydro-
| Molecular Formula | C18H28N2O4 |
|---|---|
| Molecular Weight | 336.20 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.2049 |
| Heavy Atoms | 24 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 3217-52-5 |
|---|---|
| SMILES | C1CCC(=O)N(CC1)C(=O)CCCCC(=O)N2CCCCCC2=O |
| InChIKey | PMKTZZPISUBWEM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,6-Hexanedione, 1,6-bis(hexahydro-2-oxo-1H-azepin-1-yl)- (CAS 3217-52-5), with molecular formula C18H28N2O4 and molecular weight 336.20 g/mol. IUPAC: 1,6-bis(2-oxoazepan-1-yl)hexane-1,6-dione.
Chemical Property Profile of 1,6-Hexanedione, 1,6-bis(hexahydro-2-oxo-1H-azepin-1-yl)-
Property Insights of 1,6-Hexanedione, 1,6-bis(hexahydro-2-oxo-1H-azepin-1-yl)-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,6-Hexanedione, 1,6-bis(hexahydro-2-oxo-1H-azepin-1-yl)-. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,6-Hexanedione, 1,6-bis(hexahydro-2-oxo-1H-azepin-1-yl)-. Following Lipinski's Rule of Five, 1,6-Hexanedione, 1,6-bis(hexahydro-2-oxo-1H-azepin-1-yl)- has 0 hydrogen bond donor(s) and 4 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 1,6-Hexanedione, 1,6-bis(hexahydro-2-oxo-1H-azepin-1-yl)-?
The CAS number of 1,6-Hexanedione, 1,6-bis(hexahydro-2-oxo-1H-azepin-1-yl)- is 3217-52-5.
What is the molecular formula of 1,6-Hexanedione, 1,6-bis(hexahydro-2-oxo-1H-azepin-1-yl)-?
The molecular formula of 1,6-Hexanedione, 1,6-bis(hexahydro-2-oxo-1H-azepin-1-yl)- is C18H28N2O4.
What is the molecular weight of 1,6-Hexanedione, 1,6-bis(hexahydro-2-oxo-1H-azepin-1-yl)-?
The molecular weight of 1,6-Hexanedione, 1,6-bis(hexahydro-2-oxo-1H-azepin-1-yl)- is 336.20 g/mol.
Where can I buy 1,6-Hexanedione, 1,6-bis(hexahydro-2-oxo-1H-azepin-1-yl)-?
You can request a quote for 1,6-Hexanedione, 1,6-bis(hexahydro-2-oxo-1H-azepin-1-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6-Hexanedione, 1,6-bis(hexahydro-2-oxo-1H-azepin-1-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,6-Hexanedione, 1,6-bis(hexahydro-2-oxo-1H-azepin-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.