RefChem:217888
TL;DR: RefChem:217888 (CAS 52400-77-8) is a chemical compound with molecular formula C16H27Cl3N2O2 and molecular weight 384.1138 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(5-chloro-2-methyl-1,3-benzodioxol-2-yl)ethylazaniumyl]ethyl-diethylazanium dichloride
Also Known As: 1,3-Benzodioxole, 5-chloro-2-(2-(2-(diethylamino)ethylamino)ethyl)-2-methyl-, dihydrochloride, 1,3-BENZODIOXOLE, 5-CHLORO-2-(2-(2-(DIETHYLAMINO)ETHYLAMINO)ETHYL)-2-METHYL-, DI, 2-[2-(5-chloro-2-methyl-1,3-benzodioxol-2-yl)ethylazaniumyl]ethyl-diethylazanium dichloride, 1,2-Ethanediamine, N'-[2-(5-chloro-2-methyl-1,3-benzodioxol-2-yl)ethyl]-N,N-diethyl-, dihydrochloride
Technical Specifications
| Molecular Formula | C16H27Cl3N2O2 |
| Molecular Weight | 384.1138 g/mol |
| XLogP | -5.29 |
| Topological Polar Surface Area (TPSA) | 39.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 384.1138 Da |
| Heavy Atoms | 23 |
| Complexity | 315.0 |
| SMILES | CC[NH+](CC)CC[NH2+]CCC1(OC2=C(O1)C=C(C=C2)Cl)C.[Cl-].[Cl-] |
| InChIKey | SXVAQJMBDXYSQU-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:217888
Property Insights of RefChem:217888
The XLogP value of -5.29 indicates that RefChem:217888 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 39.5 Ų, RefChem:217888 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:217888 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:217888?
The CAS number of RefChem:217888 is 52400-77-8.
What is the molecular formula of RefChem:217888?
The molecular formula of RefChem:217888 is C16H27Cl3N2O2.
What is the molecular weight of RefChem:217888?
The molecular weight of RefChem:217888 is 384.1138 g/mol.
Where can I buy RefChem:217888?
You can request a quote for RefChem:217888 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:217888?
Yes, CoreyChem provides custom synthesis services for RefChem:217888 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.