![2-Propenoic acid, 3-[4-(methylthio)phenyl]-, methyl ester structure](/static/products/519/51953-89-0.png)
2-Propenoic acid, 3-[4-(methylthio)phenyl]-, methyl ester
TL;DR: 2-Propenoic acid, 3-[4-(methylthio)phenyl]-, methyl ester (CAS 51953-89-0) is a chemical compound with molecular formula C11H12O2S and molecular weight 208.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-methylsulfanylphenyl)prop-2-enoate
Also Known As: ChemDiv3_013202, methyl 3-(4-methylsulfanylphenyl)prop-2-enoate, 2-Propenoic acid, 3-[4-(methylthio)phenyl]-, methyl ester, 2-Propenoic acid,3-[4-(methylthio)phenyl]-,methyl ester, METHYL 3-[4-(METHYLSULFANYL)PHENYL]PROP-2-ENOATE
| Molecular Formula | C11H12O2S |
|---|---|
| Molecular Weight | 208.06 g/mol |
| LogP | 2.5947 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.0558 |
| Heavy Atoms | 14 |
| Complexity | 327.6457 |
Chemical Identifiers
| CAS Number | 51953-89-0 |
|---|---|
| SMILES | COC(=O)C=CC1=CC=C(C=C1)SC |
Product Overview
2-Propenoic acid, 3-[4-(methylthio)phenyl]-, methyl ester (CAS 51953-89-0), with molecular formula C11H12O2S and molecular weight 208.06 g/mol. IUPAC: methyl 3-(4-methylsulfanylphenyl)prop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 3-[4-(methylthio)phenyl]-, methyl ester
Property Insights of 2-Propenoic acid, 3-[4-(methylthio)phenyl]-, methyl ester
The XLogP value of 2.5947 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 3-[4-(methylthio)phenyl]-, methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Propenoic acid, 3-[4-(methylthio)phenyl]-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 3-[4-(methylthio)phenyl]-, methyl ester 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 2-Propenoic acid, 3-[4-(methylthio)phenyl]-, methyl ester?
The CAS number of 2-Propenoic acid, 3-[4-(methylthio)phenyl]-, methyl ester is 51953-89-0.
What is the molecular formula of 2-Propenoic acid, 3-[4-(methylthio)phenyl]-, methyl ester?
The molecular formula of 2-Propenoic acid, 3-[4-(methylthio)phenyl]-, methyl ester is C11H12O2S.
What is the molecular weight of 2-Propenoic acid, 3-[4-(methylthio)phenyl]-, methyl ester?
The molecular weight of 2-Propenoic acid, 3-[4-(methylthio)phenyl]-, methyl ester is 208.06 g/mol.
Where can I buy 2-Propenoic acid, 3-[4-(methylthio)phenyl]-, methyl ester?
You can request a quote for 2-Propenoic acid, 3-[4-(methylthio)phenyl]-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 3-[4-(methylthio)phenyl]-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 3-[4-(methylthio)phenyl]-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.