3,5-Bis(trimethylazaniumyl)phenolate chloride--hydrogen chloride (1/1/1)
TL;DR: 3,5-Bis(trimethylazaniumyl)phenolate chloride--hydrogen chloride (1/1/1) (CAS 64050-96-0) is a chemical compound with molecular formula C12H22Cl2N2O and molecular weight 280.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-hydroxy-5-(trimethylazaniumyl)phenyl]-trimethylazanium dichloride
Also Known As: Ro 2-3265, AMMONIUM, 5-HYDROXY-m-PHENYLENEBIS(TRIMETHYL-, DICHLORIDE, N,N'-(5-Hydroxy-1,3-phenylene)di(trimethylammonium)dichloride, [3-hydroxy-5-(trimethylazaniumyl)phenyl]-trimethylazanium dichloride, 1,3-Benzenediaminium, 5-hydroxy-N,N,N,N',N',N'-hexamethyl-, dichloride
| Molecular Formula | C12H22Cl2N2O |
|---|---|
| Molecular Weight | 280.11 g/mol |
| LogP | -4.21 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.11093 |
| Heavy Atoms | 17 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 64050-96-0 |
|---|---|
| SMILES | C[N+](C)(C)C1=CC(=CC(=C1)O)[N+](C)(C)C.[Cl-].[Cl-] |
| InChIKey | KMOLOOJMKSFREQ-UHFFFAOYSA-M |
Product Overview
3,5-Bis(trimethylazaniumyl)phenolate chloride--hydrogen chloride (1/1/1) (CAS 64050-96-0), with molecular formula C12H22Cl2N2O and molecular weight 280.11 g/mol. IUPAC: [3-hydroxy-5-(trimethylazaniumyl)phenyl]-trimethylazanium dichloride.
Chemical Property Profile of 3,5-Bis(trimethylazaniumyl)phenolate chloride--hydrogen chloride (1/1/1)
Property Insights of 3,5-Bis(trimethylazaniumyl)phenolate chloride--hydrogen chloride (1/1/1)
The XLogP value of -4.21 indicates that 3,5-Bis(trimethylazaniumyl)phenolate chloride--hydrogen chloride (1/1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 20.2 Ų, 3,5-Bis(trimethylazaniumyl)phenolate chloride--hydrogen chloride (1/1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Bis(trimethylazaniumyl)phenolate chloride--hydrogen chloride (1/1/1) has 1 hydrogen bond donor(s) and 3 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 3,5-Bis(trimethylazaniumyl)phenolate chloride--hydrogen chloride (1/1/1)?
The CAS number of 3,5-Bis(trimethylazaniumyl)phenolate chloride--hydrogen chloride (1/1/1) is 64050-96-0.
What is the molecular formula of 3,5-Bis(trimethylazaniumyl)phenolate chloride--hydrogen chloride (1/1/1)?
The molecular formula of 3,5-Bis(trimethylazaniumyl)phenolate chloride--hydrogen chloride (1/1/1) is C12H22Cl2N2O.
What is the molecular weight of 3,5-Bis(trimethylazaniumyl)phenolate chloride--hydrogen chloride (1/1/1)?
The molecular weight of 3,5-Bis(trimethylazaniumyl)phenolate chloride--hydrogen chloride (1/1/1) is 280.11 g/mol.
Where can I buy 3,5-Bis(trimethylazaniumyl)phenolate chloride--hydrogen chloride (1/1/1)?
You can request a quote for 3,5-Bis(trimethylazaniumyl)phenolate chloride--hydrogen chloride (1/1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Bis(trimethylazaniumyl)phenolate chloride--hydrogen chloride (1/1/1)?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis(trimethylazaniumyl)phenolate chloride--hydrogen chloride (1/1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.