RefChem:305363
TL;DR: RefChem:305363 (CAS 42882-73-5) is a chemical compound with molecular formula C20H36Cl2N2O3 and molecular weight 422.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]-(3-morpholin-4-ium-4-ylpropyl)azanium;dichloride;hydrate
Also Known As: 5H-Benzocycloheptene-2-methanol, 6,7,8,9-tetrahydro-alpha-(((3-(4-morpholinyl)propyl)amino)methyl)-, dihydrochloride, [2-Hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)ethyl]-(3-morpholin-4-ium-4-ylpropyl)azanium dichloride hydrate, 5H-BENZOCYCLOHEPTENE-2-METHANOL, 6,7,8,9-TETRAHYDRO-alpha-(((3-(4-MORPHOLINYL)PR, [2-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]-(3-morpholin-4-ium-4-ylpropyl)azanium dichloride hydrate, RefChem:305363
| Molecular Formula | C20H36Cl2N2O3 |
|---|---|
| Molecular Weight | 422.21 g/mol |
| LogP | -6.96 |
| Topological Polar Surface Area | 51.5 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.2103 |
| Heavy Atoms | 27 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 42882-73-5 |
|---|---|
| SMILES | C1CCC2=C(CC1)C=C(C=C2)C(C[NH2+]CCC[NH+]3CCOCC3)O.O.[Cl-].[Cl-] |
| InChIKey | XJGWCNDEZIMALZ-UHFFFAOYSA-N |
Product Overview
RefChem:305363 (CAS 42882-73-5), with molecular formula C20H36Cl2N2O3 and molecular weight 422.21 g/mol. IUPAC: [2-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]-(3-morpholin-4-ium-4-ylpropyl)azanium;dichloride;hydrate.
Chemical Property Profile of RefChem:305363
Property Insights of RefChem:305363
The XLogP value of -6.96 indicates that RefChem:305363 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 51.5 Ų, RefChem:305363 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:305363 has 4 hydrogen bond donor(s) and 5 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:305363?
The CAS number of RefChem:305363 is 42882-73-5.
What is the molecular formula of RefChem:305363?
The molecular formula of RefChem:305363 is C20H36Cl2N2O3.
What is the molecular weight of RefChem:305363?
The molecular weight of RefChem:305363 is 422.21 g/mol.
Where can I buy RefChem:305363?
You can request a quote for RefChem:305363 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:305363?
Yes, KEHONG BIO provides custom synthesis services for RefChem:305363 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.