(2E)-3-(phenylsulfanyl)prop-2-enoate
TL;DR: (2E)-3-(phenylsulfanyl)prop-2-enoate (CAS 1027230-21-2) is a chemical compound with molecular formula C9H7O2S- and molecular weight 179.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-phenylsulfanylprop-2-enoate
Also Known As: (2E)-3-(phenylsulfanyl)prop-2-enoate, (E)-3-phenylsulfanylprop-2-enoate
| Molecular Formula | C9H7O2S- |
|---|---|
| Molecular Weight | 179.02 g/mol |
| LogP | 1.0423 |
| Topological Polar Surface Area | 40.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.01668 |
| Heavy Atoms | 12 |
| Complexity | 279.8398 |
Chemical Identifiers
| CAS Number | 1027230-21-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)S/C=C/C(=O)[O-] |
Product Overview
(2E)-3-(phenylsulfanyl)prop-2-enoate (CAS 1027230-21-2), with molecular formula C9H7O2S- and molecular weight 179.02 g/mol. IUPAC: (E)-3-phenylsulfanylprop-2-enoate.
Chemical Property Profile of (2E)-3-(phenylsulfanyl)prop-2-enoate
Property Insights of (2E)-3-(phenylsulfanyl)prop-2-enoate
The XLogP value of 1.0423 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(phenylsulfanyl)prop-2-enoate. With a topological polar surface area (TPSA) of 40.13 Ų, (2E)-3-(phenylsulfanyl)prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-(phenylsulfanyl)prop-2-enoate 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 (2E)-3-(phenylsulfanyl)prop-2-enoate?
The CAS number of (2E)-3-(phenylsulfanyl)prop-2-enoate is 1027230-21-2.
What is the molecular formula of (2E)-3-(phenylsulfanyl)prop-2-enoate?
The molecular formula of (2E)-3-(phenylsulfanyl)prop-2-enoate is C9H7O2S-.
What is the molecular weight of (2E)-3-(phenylsulfanyl)prop-2-enoate?
The molecular weight of (2E)-3-(phenylsulfanyl)prop-2-enoate is 179.02 g/mol.
Where can I buy (2E)-3-(phenylsulfanyl)prop-2-enoate?
You can request a quote for (2E)-3-(phenylsulfanyl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(phenylsulfanyl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(phenylsulfanyl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.