4-(4-Methoxyphenoxy)butane-1-thiol
TL;DR: 4-(4-Methoxyphenoxy)butane-1-thiol (CAS 415935-96-5) is a chemical compound with molecular formula C11H16O2S and molecular weight 212.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methoxyphenoxy)butane-1-thiol
Also Known As: 4-(4-methoxyphenoxy)-1-butanethiol, 4-(4-methoxyphenoxy)butane-1-thiol, BIM-0019853.P001
| Molecular Formula | C11H16O2S |
|---|---|
| Molecular Weight | 212.09 g/mol |
| LogP | 2.784 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 212.0871 |
| Heavy Atoms | 14 |
| Complexity | 245.96938 |
Chemical Identifiers
| CAS Number | 415935-96-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OCCCCS |
Product Overview
4-(4-Methoxyphenoxy)butane-1-thiol (CAS 415935-96-5), with molecular formula C11H16O2S and molecular weight 212.09 g/mol. IUPAC: 4-(4-methoxyphenoxy)butane-1-thiol.
Chemical Property Profile of 4-(4-Methoxyphenoxy)butane-1-thiol
Property Insights of 4-(4-Methoxyphenoxy)butane-1-thiol
The XLogP value of 2.784 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Methoxyphenoxy)butane-1-thiol. With a topological polar surface area (TPSA) of 18.46 Ų, 4-(4-Methoxyphenoxy)butane-1-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Methoxyphenoxy)butane-1-thiol 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 4-(4-Methoxyphenoxy)butane-1-thiol?
The CAS number of 4-(4-Methoxyphenoxy)butane-1-thiol is 415935-96-5.
What is the molecular formula of 4-(4-Methoxyphenoxy)butane-1-thiol?
The molecular formula of 4-(4-Methoxyphenoxy)butane-1-thiol is C11H16O2S.
What is the molecular weight of 4-(4-Methoxyphenoxy)butane-1-thiol?
The molecular weight of 4-(4-Methoxyphenoxy)butane-1-thiol is 212.09 g/mol.
Where can I buy 4-(4-Methoxyphenoxy)butane-1-thiol?
You can request a quote for 4-(4-Methoxyphenoxy)butane-1-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Methoxyphenoxy)butane-1-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methoxyphenoxy)butane-1-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.