12H-335S
TL;DR: 12H-335S (CAS 321521-65-7) is a chemical compound with molecular formula C21H19Cl4NO and molecular weight 441.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-chlorophenyl)-2-hydroxy-2-phenylethyl]-[(3,4-dichlorophenyl)methyl]azanium chloride
Also Known As: 12H-335S, 2-(4-chlorophenyl)-N-(3,4-dichlorobenzyl)-2-hydroxy-2-phenyl-1-ethanaminium chloride, [2-(4-chlorophenyl)-2-hydroxy-2-phenylethyl]-[(3,4-dichlorophenyl)methyl]azanium;chloride, [2-(4-chlorophenyl)-2-hydroxy-2-phenyl-ethyl]-[(3,4-dichlorophenyl)methyl]azanium Chloride, [2-(4-chlorophenyl)-2-hydroxy-2-phenylethyl]-[(3,4-dichlorophenyl)methyl]azanium chloride
| Molecular Formula | C21H19Cl4NO |
|---|---|
| Molecular Weight | 441.02 g/mol |
| LogP | 1.6503 |
| Topological Polar Surface Area | 36.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 441.02206 |
| Heavy Atoms | 27 |
| Complexity | 871.1099 |
Chemical Identifiers
| CAS Number | 321521-65-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C[NH2+]CC2=CC(=C(C=C2)Cl)Cl)(C3=CC=C(C=C3)Cl)O.[Cl-] |
Product Overview
12H-335S (CAS 321521-65-7), with molecular formula C21H19Cl4NO and molecular weight 441.02 g/mol. IUPAC: [2-(4-chlorophenyl)-2-hydroxy-2-phenylethyl]-[(3,4-dichlorophenyl)methyl]azanium chloride.
Chemical Property Profile of 12H-335S
Property Insights of 12H-335S
The XLogP value of 1.6503 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12H-335S. With a topological polar surface area (TPSA) of 36.84 Ų, 12H-335S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12H-335S has 2 hydrogen bond donor(s) and 1 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 12H-335S?
The CAS number of 12H-335S is 321521-65-7.
What is the molecular formula of 12H-335S?
The molecular formula of 12H-335S is C21H19Cl4NO.
What is the molecular weight of 12H-335S?
The molecular weight of 12H-335S is 441.02 g/mol.
Where can I buy 12H-335S?
You can request a quote for 12H-335S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12H-335S?
Yes, KEHONG BIO provides custom synthesis services for 12H-335S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.