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2-[(4-Butylsulfanylphenyl)-phenylmethyl]sulfanylethyl-dimethylazanium chloride
TL;DR: 2-[(4-Butylsulfanylphenyl)-phenylmethyl]sulfanylethyl-dimethylazanium chloride (CAS 904-04-1) is a chemical compound with molecular formula C21H30ClNS2 and molecular weight 395.15082 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-butylsulfanylphenyl)-phenylmethyl]sulfanylethyl-dimethylazanium chloride
Also Known As: Suvren, Covatine, Captodiame HCl, Covatin hydrochloride, Covatix hydrochloride
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C21H30ClNS2 |
| Molecular Weight | 395.15082 g/mol |
| XLogP | 1.55 |
| Topological Polar Surface Area (TPSA) | 55.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 395.15082 Da |
| Heavy Atoms | 25 |
| Complexity | 307.0 |
| SMILES | CCCCSC1=CC=C(C=C1)C(C2=CC=CC=C2)SCC[NH+](C)C.[Cl-] |
| InChIKey | IQCZDPRPOLRNQX-UHFFFAOYSA-N |
Chemical Property Profile of 2-[(4-Butylsulfanylphenyl)-phenylmethyl]sulfanylethyl-dimethylazanium chloride
Property Insights of 2-[(4-Butylsulfanylphenyl)-phenylmethyl]sulfanylethyl-dimethylazanium chloride
The XLogP value of 1.55 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Butylsulfanylphenyl)-phenylmethyl]sulfanylethyl-dimethylazanium chloride. With a topological polar surface area (TPSA) of 55.0 Ų, 2-[(4-Butylsulfanylphenyl)-phenylmethyl]sulfanylethyl-dimethylazanium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Butylsulfanylphenyl)-phenylmethyl]sulfanylethyl-dimethylazanium chloride 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
What is the CAS number of 2-[(4-Butylsulfanylphenyl)-phenylmethyl]sulfanylethyl-dimethylazanium chloride?
The CAS number of 2-[(4-Butylsulfanylphenyl)-phenylmethyl]sulfanylethyl-dimethylazanium chloride is 904-04-1.
What is the molecular formula of 2-[(4-Butylsulfanylphenyl)-phenylmethyl]sulfanylethyl-dimethylazanium chloride?
The molecular formula of 2-[(4-Butylsulfanylphenyl)-phenylmethyl]sulfanylethyl-dimethylazanium chloride is C21H30ClNS2.
What is the molecular weight of 2-[(4-Butylsulfanylphenyl)-phenylmethyl]sulfanylethyl-dimethylazanium chloride?
The molecular weight of 2-[(4-Butylsulfanylphenyl)-phenylmethyl]sulfanylethyl-dimethylazanium chloride is 395.15082 g/mol.
Where can I buy 2-[(4-Butylsulfanylphenyl)-phenylmethyl]sulfanylethyl-dimethylazanium chloride?
You can request a quote for 2-[(4-Butylsulfanylphenyl)-phenylmethyl]sulfanylethyl-dimethylazanium chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[(4-Butylsulfanylphenyl)-phenylmethyl]sulfanylethyl-dimethylazanium chloride?
Yes, CoreyChem provides custom synthesis services for 2-[(4-Butylsulfanylphenyl)-phenylmethyl]sulfanylethyl-dimethylazanium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.