Methylsulfonylallylcinnamat
TL;DR: Methylsulfonylallylcinnamat (CAS 79087-90-4) is a chemical compound with molecular formula C13H14O4S and molecular weight 266.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfonylprop-2-enyl 3-phenylprop-2-enoate
Also Known As: Methylsulfonylallylcinnamat, 3-methylsulfonylprop-2-enyl 3-phenylprop-2-enoate, [(E)-3-methylsulfonylprop-2-enyl] (E)-3-phenylprop-2-enoate
| Molecular Formula | C13H14O4S |
|---|---|
| Molecular Weight | 266.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 266.06128 |
| Heavy Atoms | 18 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 79087-90-4 |
|---|---|
| SMILES | CS(=O)(=O)C=CCOC(=O)C=CC1=CC=CC=C1 |
| InChIKey | XKWYWPLJJOFUCZ-UHFFFAOYSA-N |
Product Overview
Methylsulfonylallylcinnamat (CAS 79087-90-4), with molecular formula C13H14O4S and molecular weight 266.06 g/mol. IUPAC: 3-methylsulfonylprop-2-enyl 3-phenylprop-2-enoate.
Chemical Property Profile of Methylsulfonylallylcinnamat
Property Insights of Methylsulfonylallylcinnamat
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methylsulfonylallylcinnamat. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methylsulfonylallylcinnamat. Following Lipinski's Rule of Five, Methylsulfonylallylcinnamat has 0 hydrogen bond donor(s) and 4 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 Methylsulfonylallylcinnamat?
The CAS number of Methylsulfonylallylcinnamat is 79087-90-4.
What is the molecular formula of Methylsulfonylallylcinnamat?
The molecular formula of Methylsulfonylallylcinnamat is C13H14O4S.
What is the molecular weight of Methylsulfonylallylcinnamat?
The molecular weight of Methylsulfonylallylcinnamat is 266.06 g/mol.
Where can I buy Methylsulfonylallylcinnamat?
You can request a quote for Methylsulfonylallylcinnamat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylsulfonylallylcinnamat?
Yes, KEHONG BIO provides custom synthesis services for Methylsulfonylallylcinnamat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.