RefChem:276795
TL;DR: RefChem:276795 (CAS 95946-00-2) is a chemical compound with molecular formula C19H40Cl2N2 and molecular weight 366.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(9-tert-butyl-3-azoniaspiro[5.5]undecan-3-yl)propyl-dimethylazanium dichloride
Also Known As: 3-Azaspiro(5.5)undecane, 9-tert-butyl-3-(3-(dimethylamino)propyl)-, dihydrochloride, N-Dimethylaminopropyl-9-t-butyl-3-azaspiro(5.5)undecane dihydrochloride, 3-(3-tert-Butyl-9-azoniaspiro[5.5]undecan-9-yl)propyl-dimethylazaniumdichloride, 3-(3-tert-butyl-9-azoniaspiro[5.5]undecan-9-yl)propyl-dimethylazanium dichloride, 3-Azaspiro(5.5)undecane, 9-tert-butyl-3-(3-(dimethylamino)propyl)-, dihydrochloride, N-Dimethylaminopropyl-9-t-butyl-3-azaspiro(5.5)undecane dihydrochloride, AC1L1M34, LS-22737, 3-(3-tert-butyl-9-azoniaspiro[5.5]undecan-9-yl)propyl-dimethylazanium dichloride, 95946-00-2
| Molecular Formula | C19H40Cl2N2 |
|---|---|
| Molecular Weight | 366.26 g/mol |
| LogP | -4.57 |
| Topological Polar Surface Area | 8.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.25687 |
| Heavy Atoms | 23 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 95946-00-2 |
|---|---|
| SMILES | CC(C)(C)C1CCC2(CC1)CC[NH+](CC2)CCC[NH+](C)C.[Cl-].[Cl-] |
| InChIKey | VYVHBWNKDOBBEH-UHFFFAOYSA-N |
Product Overview
RefChem:276795 (CAS 95946-00-2), with molecular formula C19H40Cl2N2 and molecular weight 366.26 g/mol. IUPAC: 3-(9-tert-butyl-3-azoniaspiro[5.5]undecan-3-yl)propyl-dimethylazanium dichloride.
Chemical Property Profile of RefChem:276795
Property Insights of RefChem:276795
The XLogP value of -4.57 indicates that RefChem:276795 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 8.9 Ų, RefChem:276795 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:276795 has 2 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:276795?
The CAS number of RefChem:276795 is 95946-00-2.
What is the molecular formula of RefChem:276795?
The molecular formula of RefChem:276795 is C19H40Cl2N2.
What is the molecular weight of RefChem:276795?
The molecular weight of RefChem:276795 is 366.26 g/mol.
Where can I buy RefChem:276795?
You can request a quote for RefChem:276795 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:276795?
Yes, KEHONG BIO provides custom synthesis services for RefChem:276795 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.