3-methoxy-N-(3-methylsulfanylpropyl)aniline
TL;DR: 3-methoxy-N-(3-methylsulfanylpropyl)aniline (CAS 89804-74-0) is a chemical compound with molecular formula C11H17NOS and molecular weight 211.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-N-(3-methylsulfanylpropyl)aniline
Also Known As: 3-methoxy-N-(3-methylsulfanylpropyl)aniline, 3-Methoxy-N-[3-(methylsulfanyl)propyl]aniline
| Molecular Formula | C11H17NOS |
|---|---|
| Molecular Weight | 211.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 211.10309 |
| Heavy Atoms | 14 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 89804-74-0 |
|---|---|
| SMILES | COC1=CC=CC(=C1)NCCCSC |
| InChIKey | DYKCCWDUZYXPOC-UHFFFAOYSA-N |
Product Overview
3-methoxy-N-(3-methylsulfanylpropyl)aniline (CAS 89804-74-0), with molecular formula C11H17NOS and molecular weight 211.10 g/mol. IUPAC: 3-methoxy-N-(3-methylsulfanylpropyl)aniline.
Chemical Property Profile of 3-methoxy-N-(3-methylsulfanylpropyl)aniline
Property Insights of 3-methoxy-N-(3-methylsulfanylpropyl)aniline
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methoxy-N-(3-methylsulfanylpropyl)aniline. With a topological polar surface area (TPSA) of 46.6 Ų, 3-methoxy-N-(3-methylsulfanylpropyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methoxy-N-(3-methylsulfanylpropyl)aniline 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 3-methoxy-N-(3-methylsulfanylpropyl)aniline?
The CAS number of 3-methoxy-N-(3-methylsulfanylpropyl)aniline is 89804-74-0.
What is the molecular formula of 3-methoxy-N-(3-methylsulfanylpropyl)aniline?
The molecular formula of 3-methoxy-N-(3-methylsulfanylpropyl)aniline is C11H17NOS.
What is the molecular weight of 3-methoxy-N-(3-methylsulfanylpropyl)aniline?
The molecular weight of 3-methoxy-N-(3-methylsulfanylpropyl)aniline is 211.10 g/mol.
Where can I buy 3-methoxy-N-(3-methylsulfanylpropyl)aniline?
You can request a quote for 3-methoxy-N-(3-methylsulfanylpropyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methoxy-N-(3-methylsulfanylpropyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-methoxy-N-(3-methylsulfanylpropyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.