RefChem:268425
TL;DR: RefChem:268425 (CAS 1900-31-8) is a chemical compound with molecular formula C15H27ClN2O and molecular weight 286.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-(3,5,7-trimethyl-2-oxo-3H-azepin-1-yl)ethyl]azanium chloride
Also Known As: 2H-Azepin-2-one, 1,3-dihydro-1-(2-diethylaminoethyl)-3,5,7-trimethyl-, hydrochloride, 1-(2-Diethylaminoethyl)-1,3-dihydro-3,5,7-trimethyl-2H-azepin-2-one hydrochloride, diethyl-[2-(3,5,7-trimethyl-2-oxo-3H-azepin-1-yl)ethyl]azanium chloride, 2H-Azepin-2-one, 1-[2-(diethylamino)ethyl]-1,3-dihydro-3,5,7-trimethyl-, monohydrochloride, RefChem:268425
| Molecular Formula | C15H27ClN2O |
|---|---|
| Molecular Weight | 286.18 g/mol |
| LogP | -1.76 |
| Topological Polar Surface Area | 24.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 286.18118 |
| Heavy Atoms | 19 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 1900-31-8 |
|---|---|
| SMILES | CC[NH+](CC)CCN1C(=CC(=CC(C1=O)C)C)C.[Cl-] |
| InChIKey | QQCLHCPSXXRWGT-UHFFFAOYSA-N |
Product Overview
RefChem:268425 (CAS 1900-31-8), with molecular formula C15H27ClN2O and molecular weight 286.18 g/mol. IUPAC: diethyl-[2-(3,5,7-trimethyl-2-oxo-3H-azepin-1-yl)ethyl]azanium chloride.
Chemical Property Profile of RefChem:268425
Property Insights of RefChem:268425
The XLogP value of -1.76 indicates that RefChem:268425 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 24.8 Ų, RefChem:268425 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:268425 has 1 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 RefChem:268425?
The CAS number of RefChem:268425 is 1900-31-8.
What is the molecular formula of RefChem:268425?
The molecular formula of RefChem:268425 is C15H27ClN2O.
What is the molecular weight of RefChem:268425?
The molecular weight of RefChem:268425 is 286.18 g/mol.
Where can I buy RefChem:268425?
You can request a quote for RefChem:268425 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:268425?
Yes, KEHONG BIO provides custom synthesis services for RefChem:268425 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.