RefChem:328552
TL;DR: RefChem:328552 (CAS 42739-91-3) is a chemical compound with molecular formula C22H30Cl3NO3 and molecular weight 461.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,3-bis[4-(2-chloroethoxy)phenyl]-3-hydroxy-2-methylpropyl]-dimethylazanium chloride
Also Known As: [3,3-bis[4-(2-chloroethoxy)phenyl]-3-hydroxy-2-methylpropyl]-dimethylazanium chloride|Benzyl alcohol, 4-(2-chloroethoxy)-alpha-(4-(2-chloroethoxy)phenyl)-alpha- (2-(dimethylamino)-1-methylethyl)-, hydrochloride|Benzyl alcohol, 4-(2-chloroethoxy)-alpha-(4-(2-chloroethoxy)phenyl)-alpha-(2-(dimethylamino)-1-methylethyl)-, hydrochloride|BENZYL ALCOHOL, 4-(2-CHLOROETHOXY)-alpha-(4-(2-CHLOROETHOXY)PHENYL)-alpha-(2-(DI|RefChem:328552
| Molecular Formula | C22H30Cl3NO3 |
|---|---|
| Molecular Weight | 461.13 g/mol |
| LogP | -0.06 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 461.12912 |
| Heavy Atoms | 29 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 42739-91-3 |
|---|---|
| SMILES | CC(C[NH+](C)C)C(C1=CC=C(C=C1)OCCCl)(C2=CC=C(C=C2)OCCCl)O.[Cl-] |
| InChIKey | BTSUJFBLLBAQRE-UHFFFAOYSA-N |
Product Overview
RefChem:328552 (CAS 42739-91-3), with molecular formula C22H30Cl3NO3 and molecular weight 461.13 g/mol. IUPAC: [3,3-bis[4-(2-chloroethoxy)phenyl]-3-hydroxy-2-methylpropyl]-dimethylazanium chloride.
Chemical Property Profile of RefChem:328552
Property Insights of RefChem:328552
The XLogP value of -0.06 indicates that RefChem:328552 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.1 Ų, RefChem:328552 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:328552 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
Frequently Asked Questions
What is the CAS number of RefChem:328552?
The CAS number of RefChem:328552 is 42739-91-3.
What is the molecular formula of RefChem:328552?
The molecular formula of RefChem:328552 is C22H30Cl3NO3.
What is the molecular weight of RefChem:328552?
The molecular weight of RefChem:328552 is 461.13 g/mol.
Where can I buy RefChem:328552?
You can request a quote for RefChem:328552 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:328552?
Yes, KEHONG BIO provides custom synthesis services for RefChem:328552 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.