Benzenemethanol, alpha-(1-(butylamino)propyl)-4-(ethylthio)-, hydrochloride
TL;DR: Benzenemethanol, alpha-(1-(butylamino)propyl)-4-(ethylthio)-, hydrochloride (CAS 54767-57-6) is a chemical compound with molecular formula C16H28ClNOS and molecular weight 317.15802 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(butylamino)-1-(4-ethylsulfanylphenyl)butan-1-ol;hydrochloride
Also Known As: Benzyl alcohol, alpha-(1-(butylamino)propyl)-4-(ethylthio)-, hydrochloride, alpha-(1-(Butylamino)propyl)-4-(ethylthio)benzenemethanol hydrochloride, Benzenemethanol, alpha-(1-(butylamino)propyl)-4-(ethylthio)-, hydrochloride, 2-(butylamino)-1-(4-ethylsulfanylphenyl)butan-1-ol hydrochloride, 2-(Butylamino)-1-[4-(ethylsulfanyl)phenyl]butan-1-ol--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C16H28ClNOS |
| Molecular Weight | 317.15802 g/mol |
| XLogP | 4.4221 |
| Topological Polar Surface Area (TPSA) | 57.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 317.15802 Da |
| Heavy Atoms | 20 |
| Complexity | 217.0 |
| SMILES | CCCCNC(CC)C(C1=CC=C(C=C1)SCC)O.Cl |
| InChIKey | MJIHZWDQADZJKO-UHFFFAOYSA-N |
Chemical Property Profile of Benzenemethanol, alpha-(1-(butylamino)propyl)-4-(ethylthio)-, hydrochloride
Property Insights of Benzenemethanol, alpha-(1-(butylamino)propyl)-4-(ethylthio)-, hydrochloride
The XLogP value of 4.4221 indicates that Benzenemethanol, alpha-(1-(butylamino)propyl)-4-(ethylthio)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.6 Ų, Benzenemethanol, alpha-(1-(butylamino)propyl)-4-(ethylthio)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanol, alpha-(1-(butylamino)propyl)-4-(ethylthio)-, hydrochloride has 3 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 Benzenemethanol, alpha-(1-(butylamino)propyl)-4-(ethylthio)-, hydrochloride?
The CAS number of Benzenemethanol, alpha-(1-(butylamino)propyl)-4-(ethylthio)-, hydrochloride is 54767-57-6.
What is the molecular formula of Benzenemethanol, alpha-(1-(butylamino)propyl)-4-(ethylthio)-, hydrochloride?
The molecular formula of Benzenemethanol, alpha-(1-(butylamino)propyl)-4-(ethylthio)-, hydrochloride is C16H28ClNOS.
What is the molecular weight of Benzenemethanol, alpha-(1-(butylamino)propyl)-4-(ethylthio)-, hydrochloride?
The molecular weight of Benzenemethanol, alpha-(1-(butylamino)propyl)-4-(ethylthio)-, hydrochloride is 317.15802 g/mol.
Where can I buy Benzenemethanol, alpha-(1-(butylamino)propyl)-4-(ethylthio)-, hydrochloride?
You can request a quote for Benzenemethanol, alpha-(1-(butylamino)propyl)-4-(ethylthio)-, hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzenemethanol, alpha-(1-(butylamino)propyl)-4-(ethylthio)-, hydrochloride?
Yes, CoreyChem provides custom synthesis services for Benzenemethanol, alpha-(1-(butylamino)propyl)-4-(ethylthio)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.