![2-[3-(Aminomethyl)-2-ethylsulfanylphenoxy]-4-chlorobenzonitrile structure](/static/products/508/508204-79-3.png)
2-[3-(Aminomethyl)-2-ethylsulfanylphenoxy]-4-chlorobenzonitrile
TL;DR: 2-[3-(Aminomethyl)-2-ethylsulfanylphenoxy]-4-chlorobenzonitrile (CAS 508204-79-3) is a chemical compound with molecular formula C16H15ClN2OS and molecular weight 318.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(aminomethyl)-2-ethylsulfanylphenoxy]-4-chlorobenzonitrile
Also Known As: 2-(3-(aminomethyl)-2-(ethylthio)phenoxy)-4-chlorobenzonitrile, 2-[3-(aminomethyl)-2-ethylsulfanyl-phenoxy]-4-chloro-benzonitrile
| Molecular Formula | C16H15ClN2OS |
|---|---|
| Molecular Weight | 318.06 g/mol |
| LogP | 4.57468 |
| Topological Polar Surface Area | 59.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.05936 |
| Heavy Atoms | 21 |
| Complexity | 682.4626 |
Chemical Identifiers
| CAS Number | 508204-79-3 |
|---|---|
| SMILES | CCSC1=C(C=CC=C1OC2=C(C=CC(=C2)Cl)C#N)CN |
Product Overview
2-[3-(Aminomethyl)-2-ethylsulfanylphenoxy]-4-chlorobenzonitrile (CAS 508204-79-3), with molecular formula C16H15ClN2OS and molecular weight 318.06 g/mol. IUPAC: 2-[3-(aminomethyl)-2-ethylsulfanylphenoxy]-4-chlorobenzonitrile.
Chemical Property Profile of 2-[3-(Aminomethyl)-2-ethylsulfanylphenoxy]-4-chlorobenzonitrile
Property Insights of 2-[3-(Aminomethyl)-2-ethylsulfanylphenoxy]-4-chlorobenzonitrile
The XLogP value of 4.57468 indicates that 2-[3-(Aminomethyl)-2-ethylsulfanylphenoxy]-4-chlorobenzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.04 Ų, 2-[3-(Aminomethyl)-2-ethylsulfanylphenoxy]-4-chlorobenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[3-(Aminomethyl)-2-ethylsulfanylphenoxy]-4-chlorobenzonitrile 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-[3-(Aminomethyl)-2-ethylsulfanylphenoxy]-4-chlorobenzonitrile?
The CAS number of 2-[3-(Aminomethyl)-2-ethylsulfanylphenoxy]-4-chlorobenzonitrile is 508204-79-3.
What is the molecular formula of 2-[3-(Aminomethyl)-2-ethylsulfanylphenoxy]-4-chlorobenzonitrile?
The molecular formula of 2-[3-(Aminomethyl)-2-ethylsulfanylphenoxy]-4-chlorobenzonitrile is C16H15ClN2OS.
What is the molecular weight of 2-[3-(Aminomethyl)-2-ethylsulfanylphenoxy]-4-chlorobenzonitrile?
The molecular weight of 2-[3-(Aminomethyl)-2-ethylsulfanylphenoxy]-4-chlorobenzonitrile is 318.06 g/mol.
Where can I buy 2-[3-(Aminomethyl)-2-ethylsulfanylphenoxy]-4-chlorobenzonitrile?
You can request a quote for 2-[3-(Aminomethyl)-2-ethylsulfanylphenoxy]-4-chlorobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-(Aminomethyl)-2-ethylsulfanylphenoxy]-4-chlorobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(Aminomethyl)-2-ethylsulfanylphenoxy]-4-chlorobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.