5-(Methylthio)-2-phenylpent-4-en-2-ol
TL;DR: 5-(Methylthio)-2-phenylpent-4-en-2-ol (CAS 97369-72-7) is a chemical compound with molecular formula C12H16OS and molecular weight 208.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-5-methylsulfanyl-2-phenylpent-4-en-2-ol
Also Known As: 5-(Methylthio)-2-phenyl-4-penten-2-ol, 5-(Methylthio)-2-phenylpent-4-en-2-ol, (E)-5-methylsulfanyl-2-phenylpent-4-en-2-ol, (4E)-5-(Methylsulfanyl)-2-phenyl-4-penten-2-ol #
| Molecular Formula | C12H16OS |
|---|---|
| Molecular Weight | 208.09 g/mol |
| LogP | 3.1609 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.0922 |
| Heavy Atoms | 14 |
| Complexity | 290.44986 |
Chemical Identifiers
| CAS Number | 97369-72-7 |
|---|---|
| SMILES | CC(C/C=C/SC)(C1=CC=CC=C1)O |
Product Overview
5-(Methylthio)-2-phenylpent-4-en-2-ol (CAS 97369-72-7), with molecular formula C12H16OS and molecular weight 208.09 g/mol. IUPAC: (E)-5-methylsulfanyl-2-phenylpent-4-en-2-ol.
Chemical Property Profile of 5-(Methylthio)-2-phenylpent-4-en-2-ol
Property Insights of 5-(Methylthio)-2-phenylpent-4-en-2-ol
The XLogP value of 3.1609 indicates that 5-(Methylthio)-2-phenylpent-4-en-2-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.23 Ų, 5-(Methylthio)-2-phenylpent-4-en-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Methylthio)-2-phenylpent-4-en-2-ol has 1 hydrogen bond donor(s) and 2 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 5-(Methylthio)-2-phenylpent-4-en-2-ol?
The CAS number of 5-(Methylthio)-2-phenylpent-4-en-2-ol is 97369-72-7.
What is the molecular formula of 5-(Methylthio)-2-phenylpent-4-en-2-ol?
The molecular formula of 5-(Methylthio)-2-phenylpent-4-en-2-ol is C12H16OS.
What is the molecular weight of 5-(Methylthio)-2-phenylpent-4-en-2-ol?
The molecular weight of 5-(Methylthio)-2-phenylpent-4-en-2-ol is 208.09 g/mol.
Where can I buy 5-(Methylthio)-2-phenylpent-4-en-2-ol?
You can request a quote for 5-(Methylthio)-2-phenylpent-4-en-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Methylthio)-2-phenylpent-4-en-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 5-(Methylthio)-2-phenylpent-4-en-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.