4-((1-Methylethyl)thio)-alpha-(1-(octylamino)propyl)benzenemethanol hydrochloride
TL;DR: 4-((1-Methylethyl)thio)-alpha-(1-(octylamino)propyl)benzenemethanol hydrochloride (CAS 54789-96-7) is a chemical compound with molecular formula C21H38ClNOS and molecular weight 387.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(octylamino)-1-(4-propan-2-ylsulfanylphenyl)butan-1-ol;hydrochloride
Also Known As: 4-((1-Methylethyl)thio)-alpha-(1-(octylamino)propyl)benzenemethanol hydrochloride, Benzenemethanol, 4-((1-methylethyl)thio)-alpha-(1-(octylamino)propyl)-, hydrochloride, 1-(4-isopropylthiophenyl)-2-n-octylamino-1-butanol hydrochloride, 2-(octylamino)-1-(4-propan-2-ylsulfanylphenyl)butan-1-ol hydrochloride, 2-(Octylamino)-1-{4-[(propan-2-yl)sulfanyl]phenyl}butan-1-ol--hydrogen chloride (1/1)
| Molecular Formula | C21H38ClNOS |
|---|---|
| Molecular Weight | 387.24 g/mol |
| LogP | 6.371 |
| Topological Polar Surface Area | 32.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 13 |
| Exact Mass | 387.23627 |
| Heavy Atoms | 25 |
| Complexity | 424.40915 |
Chemical Identifiers
| CAS Number | 54789-96-7 |
|---|---|
| SMILES | CCCCCCCCNC(CC)C(C1=CC=C(C=C1)SC(C)C)O.Cl |
Product Overview
4-((1-Methylethyl)thio)-alpha-(1-(octylamino)propyl)benzenemethanol hydrochloride (CAS 54789-96-7), with molecular formula C21H38ClNOS and molecular weight 387.24 g/mol. IUPAC: 2-(octylamino)-1-(4-propan-2-ylsulfanylphenyl)butan-1-ol;hydrochloride.
Chemical Property Profile of 4-((1-Methylethyl)thio)-alpha-(1-(octylamino)propyl)benzenemethanol hydrochloride
Property Insights of 4-((1-Methylethyl)thio)-alpha-(1-(octylamino)propyl)benzenemethanol hydrochloride
The XLogP value of 6.371 indicates that 4-((1-Methylethyl)thio)-alpha-(1-(octylamino)propyl)benzenemethanol hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.26 Ų, 4-((1-Methylethyl)thio)-alpha-(1-(octylamino)propyl)benzenemethanol hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((1-Methylethyl)thio)-alpha-(1-(octylamino)propyl)benzenemethanol hydrochloride has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-((1-Methylethyl)thio)-alpha-(1-(octylamino)propyl)benzenemethanol hydrochloride?
The CAS number of 4-((1-Methylethyl)thio)-alpha-(1-(octylamino)propyl)benzenemethanol hydrochloride is 54789-96-7.
What is the molecular formula of 4-((1-Methylethyl)thio)-alpha-(1-(octylamino)propyl)benzenemethanol hydrochloride?
The molecular formula of 4-((1-Methylethyl)thio)-alpha-(1-(octylamino)propyl)benzenemethanol hydrochloride is C21H38ClNOS.
What is the molecular weight of 4-((1-Methylethyl)thio)-alpha-(1-(octylamino)propyl)benzenemethanol hydrochloride?
The molecular weight of 4-((1-Methylethyl)thio)-alpha-(1-(octylamino)propyl)benzenemethanol hydrochloride is 387.24 g/mol.
Where can I buy 4-((1-Methylethyl)thio)-alpha-(1-(octylamino)propyl)benzenemethanol hydrochloride?
You can request a quote for 4-((1-Methylethyl)thio)-alpha-(1-(octylamino)propyl)benzenemethanol hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((1-Methylethyl)thio)-alpha-(1-(octylamino)propyl)benzenemethanol hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4-((1-Methylethyl)thio)-alpha-(1-(octylamino)propyl)benzenemethanol hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.