S-(4-methylphenyl) (2E)-3-(4-methoxyphenyl)prop-2-enethioate
TL;DR: S-(4-methylphenyl) (2E)-3-(4-methoxyphenyl)prop-2-enethioate (CAS 73112-61-5) is a chemical compound with molecular formula C17H16O2S and molecular weight 284.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4-methylphenyl) (E)-3-(4-methoxyphenyl)prop-2-enethioate
Also Known As: AB01331033-02, (E)-S-p-tolyl 3-(4-methoxyphenyl)prop-2-enethioate, S-(4-methylphenyl) (2E)-3-(4-methoxyphenyl)prop-2-enethioate, S-(4-methylphenyl) (E)-3-(4-methoxyphenyl)prop-2-enethioate
| Molecular Formula | C17H16O2S |
|---|---|
| Molecular Weight | 284.09 g/mol |
| LogP | 4.33572 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.0871 |
| Heavy Atoms | 20 |
| Complexity | 597.8921 |
Chemical Identifiers
| CAS Number | 73112-61-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC(=O)/C=C/C2=CC=C(C=C2)OC |
Product Overview
S-(4-methylphenyl) (2E)-3-(4-methoxyphenyl)prop-2-enethioate (CAS 73112-61-5), with molecular formula C17H16O2S and molecular weight 284.09 g/mol. IUPAC: S-(4-methylphenyl) (E)-3-(4-methoxyphenyl)prop-2-enethioate.
Chemical Property Profile of S-(4-methylphenyl) (2E)-3-(4-methoxyphenyl)prop-2-enethioate
Property Insights of S-(4-methylphenyl) (2E)-3-(4-methoxyphenyl)prop-2-enethioate
The XLogP value of 4.33572 indicates that S-(4-methylphenyl) (2E)-3-(4-methoxyphenyl)prop-2-enethioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, S-(4-methylphenyl) (2E)-3-(4-methoxyphenyl)prop-2-enethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(4-methylphenyl) (2E)-3-(4-methoxyphenyl)prop-2-enethioate has 0 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 S-(4-methylphenyl) (2E)-3-(4-methoxyphenyl)prop-2-enethioate?
The CAS number of S-(4-methylphenyl) (2E)-3-(4-methoxyphenyl)prop-2-enethioate is 73112-61-5.
What is the molecular formula of S-(4-methylphenyl) (2E)-3-(4-methoxyphenyl)prop-2-enethioate?
The molecular formula of S-(4-methylphenyl) (2E)-3-(4-methoxyphenyl)prop-2-enethioate is C17H16O2S.
What is the molecular weight of S-(4-methylphenyl) (2E)-3-(4-methoxyphenyl)prop-2-enethioate?
The molecular weight of S-(4-methylphenyl) (2E)-3-(4-methoxyphenyl)prop-2-enethioate is 284.09 g/mol.
Where can I buy S-(4-methylphenyl) (2E)-3-(4-methoxyphenyl)prop-2-enethioate?
You can request a quote for S-(4-methylphenyl) (2E)-3-(4-methoxyphenyl)prop-2-enethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(4-methylphenyl) (2E)-3-(4-methoxyphenyl)prop-2-enethioate?
Yes, KEHONG BIO provides custom synthesis services for S-(4-methylphenyl) (2E)-3-(4-methoxyphenyl)prop-2-enethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.