3-苯硫基-丙烯酸乙酯-S-氧化物
TL;DR: 3-苯硫基-丙烯酸乙酯-S-氧化物 (CAS 73663-93-1) is a chemical compound with molecular formula C11H12O3S and molecular weight 224.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-苯硫基-丙烯酸乙酯-S-氧化物
ethyl 3-(benzenesulfinyl)prop-2-enoate
Also Known As: Ethyl 3-(phenylsulfinyl)acrylate, 3-(Phenylsulfinyl)acrylic acid ethyl ester, 3-Phenylsulfanyl-acrylic acid ethyl ester-S-oxide, 2-Propenoic acid, 3-(phenylsulfinyl)-, ethyl ester, ACRYLIC ACID, 3-(PHENYLSULFINYL)-, ETHYL ESTER
| Molecular Formula | C11H12O3S |
|---|---|
| Molecular Weight | 224.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 224.05072 |
| Heavy Atoms | 15 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 73663-93-1 |
|---|---|
| SMILES | CCOC(=O)C=CS(=O)C1=CC=CC=C1 |
| InChIKey | CSHWPMGIWDFXRH-UHFFFAOYSA-N |
Product Overview
3-苯硫基-丙烯酸乙酯-S-氧化物 (CAS 73663-93-1), with molecular formula C11H12O3S and molecular weight 224.05 g/mol. IUPAC: ethyl 3-(benzenesulfinyl)prop-2-enoate.
Chemical Property Profile of 3-苯硫基-丙烯酸乙酯-S-氧化物
Property Insights of 3-苯硫基-丙烯酸乙酯-S-氧化物
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-苯硫基-丙烯酸乙酯-S-氧化物. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-苯硫基-丙烯酸乙酯-S-氧化物. Following Lipinski's Rule of Five, 3-苯硫基-丙烯酸乙酯-S-氧化物 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 3-苯硫基-丙烯酸乙酯-S-氧化物?
The CAS number of 3-苯硫基-丙烯酸乙酯-S-氧化物 is 73663-93-1.
What is the molecular formula of 3-苯硫基-丙烯酸乙酯-S-氧化物?
The molecular formula of 3-苯硫基-丙烯酸乙酯-S-氧化物 is C11H12O3S.
What is the molecular weight of 3-苯硫基-丙烯酸乙酯-S-氧化物?
The molecular weight of 3-苯硫基-丙烯酸乙酯-S-氧化物 is 224.05 g/mol.
Where can I buy 3-苯硫基-丙烯酸乙酯-S-氧化物?
You can request a quote for 3-苯硫基-丙烯酸乙酯-S-氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-苯硫基-丙烯酸乙酯-S-氧化物?
Yes, KEHONG BIO provides custom synthesis services for 3-苯硫基-丙烯酸乙酯-S-氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.