2-(2,5-dimethoxy-4-pentylsulfanylphenyl)-N-methylethanamine
TL;DR: 2-(2,5-dimethoxy-4-pentylsulfanylphenyl)-N-methylethanamine (CAS 129658-12-4) is a chemical compound with molecular formula C16H27NO2S and molecular weight 297.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,5-dimethoxy-4-pentylsulfanylphenyl)-N-methylethanamine
Also Known As: AE-641/30109042, 2-(2,5-dimethoxy-4-pentylsulfanylphenyl)-N-methylethanamine, 2-[2,5-dimethoxy-4-(pentylsulfanyl)phenyl]-N-methylethanamine
| Molecular Formula | C16H27NO2S |
|---|---|
| Molecular Weight | 297.18 g/mol |
| LogP | 3.748 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 297.17624 |
| Heavy Atoms | 20 |
| Complexity | 396.3084 |
Chemical Identifiers
| CAS Number | 129658-12-4 |
|---|---|
| SMILES | CCCCCSC1=C(C=C(C(=C1)OC)CCNC)OC |
Product Overview
2-(2,5-dimethoxy-4-pentylsulfanylphenyl)-N-methylethanamine (CAS 129658-12-4), with molecular formula C16H27NO2S and molecular weight 297.18 g/mol. IUPAC: 2-(2,5-dimethoxy-4-pentylsulfanylphenyl)-N-methylethanamine.
Chemical Property Profile of 2-(2,5-dimethoxy-4-pentylsulfanylphenyl)-N-methylethanamine
Property Insights of 2-(2,5-dimethoxy-4-pentylsulfanylphenyl)-N-methylethanamine
The XLogP value of 3.748 indicates that 2-(2,5-dimethoxy-4-pentylsulfanylphenyl)-N-methylethanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.49 Ų, 2-(2,5-dimethoxy-4-pentylsulfanylphenyl)-N-methylethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,5-dimethoxy-4-pentylsulfanylphenyl)-N-methylethanamine has 1 hydrogen bond donor(s) and 4 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-(2,5-dimethoxy-4-pentylsulfanylphenyl)-N-methylethanamine?
The CAS number of 2-(2,5-dimethoxy-4-pentylsulfanylphenyl)-N-methylethanamine is 129658-12-4.
What is the molecular formula of 2-(2,5-dimethoxy-4-pentylsulfanylphenyl)-N-methylethanamine?
The molecular formula of 2-(2,5-dimethoxy-4-pentylsulfanylphenyl)-N-methylethanamine is C16H27NO2S.
What is the molecular weight of 2-(2,5-dimethoxy-4-pentylsulfanylphenyl)-N-methylethanamine?
The molecular weight of 2-(2,5-dimethoxy-4-pentylsulfanylphenyl)-N-methylethanamine is 297.18 g/mol.
Where can I buy 2-(2,5-dimethoxy-4-pentylsulfanylphenyl)-N-methylethanamine?
You can request a quote for 2-(2,5-dimethoxy-4-pentylsulfanylphenyl)-N-methylethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,5-dimethoxy-4-pentylsulfanylphenyl)-N-methylethanamine?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,5-dimethoxy-4-pentylsulfanylphenyl)-N-methylethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.