对甲苯磺酸肉桂酯
TL;DR: 对甲苯磺酸肉桂酯 (CAS 19627-30-6) is a chemical compound with molecular formula C16H16O3S and molecular weight 288.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
对甲苯磺酸肉桂酯
3-phenylprop-2-enyl 4-methylbenzenesulfonate
Also Known As: 1-cinnamyloxysulfonyl-4-methyl-benzene, 3-phenylprop-2-enyl 4-methylbenzenesulfonate
| Molecular Formula | C16H16O3S |
|---|---|
| Molecular Weight | 288.08 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 288.082 |
| Heavy Atoms | 20 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 19627-30-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC=CC2=CC=CC=C2 |
| InChIKey | ADTMITDBGCYTKC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
对甲苯磺酸肉桂酯 (CAS 19627-30-6), with molecular formula C16H16O3S and molecular weight 288.08 g/mol. IUPAC: 3-phenylprop-2-enyl 4-methylbenzenesulfonate.
Chemical Property Profile of 对甲苯磺酸肉桂酯
Property Insights of 对甲苯磺酸肉桂酯
The XLogP value of 3.7 indicates that 对甲苯磺酸肉桂酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 对甲苯磺酸肉桂酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 对甲苯磺酸肉桂酯 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 对甲苯磺酸肉桂酯?
The CAS number of 对甲苯磺酸肉桂酯 is 19627-30-6.
What is the molecular formula of 对甲苯磺酸肉桂酯?
The molecular formula of 对甲苯磺酸肉桂酯 is C16H16O3S.
What is the molecular weight of 对甲苯磺酸肉桂酯?
The molecular weight of 对甲苯磺酸肉桂酯 is 288.08 g/mol.
Where can I buy 对甲苯磺酸肉桂酯?
You can request a quote for 对甲苯磺酸肉桂酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对甲苯磺酸肉桂酯?
Yes, KEHONG BIO provides custom synthesis services for 对甲苯磺酸肉桂酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.