RefChem:272783
TL;DR: RefChem:272783 (CAS 23462-21-7) is a chemical compound with molecular formula C21H42Cl3N3O4 and molecular weight 505.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-(3-benzyl-3,9-diazoniabicyclo[3.3.1]nonan-9-yl)propan-2-yl]morpholin-4-ium;trichloride;trihydrate
Also Known As: 3,9-Diazabicyclo(3.3.1)nonane, 3-benzyl-9-(2-morpholinopropyl)-, hydrochloride, hydrate (1:3:3), 3-Benzyl-9-(2-morpholinopropyl)-3,9-diazabicyclo(3.3.1)nonane hydrochloride hydrate, 4-[1-(7-Benzyl-7,9-diazoniabicyclo[3.3.1]nonan-9-yl)propan-2-yl]morpholin-4-iumtrichloride trihydrate, 4-[1-(3-benzyl-3,9-diazoniabicyclo[3.3.1]nonan-9-yl)propan-2-yl]morpholin-4-ium trichloride trihydrate, RefChem:272783
| Molecular Formula | C21H42Cl3N3O4 |
|---|---|
| Molecular Weight | 505.22 g/mol |
| LogP | -13.27 |
| Topological Polar Surface Area | 25.6 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 505.2241 |
| Heavy Atoms | 31 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 23462-21-7 |
|---|---|
| SMILES | CC(C[NH+]1C2CCCC1C[NH+](C2)CC3=CC=CC=C3)[NH+]4CCOCC4.O.O.O.[Cl-].[Cl-].[Cl-] |
| InChIKey | DQHBTODEMXBEPG-UHFFFAOYSA-N |
Product Overview
RefChem:272783 (CAS 23462-21-7), with molecular formula C21H42Cl3N3O4 and molecular weight 505.22 g/mol. IUPAC: 4-[1-(3-benzyl-3,9-diazoniabicyclo[3.3.1]nonan-9-yl)propan-2-yl]morpholin-4-ium;trichloride;trihydrate.
Chemical Property Profile of RefChem:272783
Property Insights of RefChem:272783
The XLogP value of -13.27 indicates that RefChem:272783 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 25.6 Ų, RefChem:272783 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:272783 has 6 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:272783?
The CAS number of RefChem:272783 is 23462-21-7.
What is the molecular formula of RefChem:272783?
The molecular formula of RefChem:272783 is C21H42Cl3N3O4.
What is the molecular weight of RefChem:272783?
The molecular weight of RefChem:272783 is 505.22 g/mol.
Where can I buy RefChem:272783?
You can request a quote for RefChem:272783 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:272783?
Yes, KEHONG BIO provides custom synthesis services for RefChem:272783 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.