2-((4-Isobutoxybenzyl)thio)ethanamine
TL;DR: 2-((4-Isobutoxybenzyl)thio)ethanamine (CAS 22876-74-0) is a chemical compound with molecular formula C13H21NOS and molecular weight 239.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(2-methylpropoxy)phenyl]methylsulfanyl]ethanamine
Also Known As: 2-((4-Isobutoxybenzyl)thio)ethanamine, 2-(4-Isobutoxy-benzylsulfanyl)-ethylamine, BAS 00604766, 2-[(4-isobutoxybenzyl)sulfanyl]ethanamine, AB00081536-01
| Molecular Formula | C13H21NOS |
|---|---|
| Molecular Weight | 239.13 g/mol |
| LogP | 2.9133 |
| Topological Polar Surface Area | 35.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 239.13438 |
| Heavy Atoms | 16 |
| Complexity | 284.48898 |
Chemical Identifiers
| CAS Number | 22876-74-0 |
|---|---|
| SMILES | CC(C)COC1=CC=C(C=C1)CSCCN |
Product Overview
2-((4-Isobutoxybenzyl)thio)ethanamine (CAS 22876-74-0), with molecular formula C13H21NOS and molecular weight 239.13 g/mol. IUPAC: 2-[[4-(2-methylpropoxy)phenyl]methylsulfanyl]ethanamine.
Chemical Property Profile of 2-((4-Isobutoxybenzyl)thio)ethanamine
Property Insights of 2-((4-Isobutoxybenzyl)thio)ethanamine
The XLogP value of 2.9133 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-Isobutoxybenzyl)thio)ethanamine. With a topological polar surface area (TPSA) of 35.25 Ų, 2-((4-Isobutoxybenzyl)thio)ethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-Isobutoxybenzyl)thio)ethanamine 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
Frequently Asked Questions
What is the CAS number of 2-((4-Isobutoxybenzyl)thio)ethanamine?
The CAS number of 2-((4-Isobutoxybenzyl)thio)ethanamine is 22876-74-0.
What is the molecular formula of 2-((4-Isobutoxybenzyl)thio)ethanamine?
The molecular formula of 2-((4-Isobutoxybenzyl)thio)ethanamine is C13H21NOS.
What is the molecular weight of 2-((4-Isobutoxybenzyl)thio)ethanamine?
The molecular weight of 2-((4-Isobutoxybenzyl)thio)ethanamine is 239.13 g/mol.
Where can I buy 2-((4-Isobutoxybenzyl)thio)ethanamine?
You can request a quote for 2-((4-Isobutoxybenzyl)thio)ethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Isobutoxybenzyl)thio)ethanamine?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Isobutoxybenzyl)thio)ethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.