Ethyl 3-(benzylsulfonyl)propionate
TL;DR: Ethyl 3-(benzylsulfonyl)propionate (CAS 112982-18-0) is a chemical compound with molecular formula C12H16O4S and molecular weight 256.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-benzylsulfonylpropanoate
Also Known As: ethyl 3-benzylsulfonylpropanoate, ethyl 3-(benzylsulfonyl)propanoate, ETHYL 3-(BENZYLSULFONYL)PROPIONATE, 3-[(phenylmethyl)sulfonyl]propanoic acid ethyl ester
| Molecular Formula | C12H16O4S |
|---|---|
| Molecular Weight | 256.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 256.07693 |
| Heavy Atoms | 17 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 112982-18-0 |
|---|---|
| SMILES | CCOC(=O)CCS(=O)(=O)CC1=CC=CC=C1 |
| InChIKey | XOFFGKLXNHQWMW-UHFFFAOYSA-N |
Product Overview
Ethyl 3-(benzylsulfonyl)propionate (CAS 112982-18-0), with molecular formula C12H16O4S and molecular weight 256.08 g/mol. IUPAC: ethyl 3-benzylsulfonylpropanoate.
Chemical Property Profile of Ethyl 3-(benzylsulfonyl)propionate
Property Insights of Ethyl 3-(benzylsulfonyl)propionate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(benzylsulfonyl)propionate. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(benzylsulfonyl)propionate. Following Lipinski's Rule of Five, Ethyl 3-(benzylsulfonyl)propionate 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 Ethyl 3-(benzylsulfonyl)propionate?
The CAS number of Ethyl 3-(benzylsulfonyl)propionate is 112982-18-0.
What is the molecular formula of Ethyl 3-(benzylsulfonyl)propionate?
The molecular formula of Ethyl 3-(benzylsulfonyl)propionate is C12H16O4S.
What is the molecular weight of Ethyl 3-(benzylsulfonyl)propionate?
The molecular weight of Ethyl 3-(benzylsulfonyl)propionate is 256.08 g/mol.
Where can I buy Ethyl 3-(benzylsulfonyl)propionate?
You can request a quote for Ethyl 3-(benzylsulfonyl)propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(benzylsulfonyl)propionate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(benzylsulfonyl)propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.