ethyl ECOTSPEC
TL;DR: ethyl ECOTSPEC (CAS 145568-18-9) is a chemical compound with molecular formula C20H27NO6S and molecular weight 409.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2R,3R)-3-ethoxycarbonyloxy-2-[1-[(R)-(4-methylphenyl)sulfinyl]cyclopropyl]pyrrolidine-1-carboxylate
Also Known As: Ethyl ecotspec, ethyl3-2-(1-1-pyrrolidinecarboxylate, ethyl 3-ethoxycarbonyloxy-2-[1-(4-methylphenyl)sulfinylcyclopropyl]pyrrolidine-1-carboxylate, ethyl (2R,3R)-3-ethoxycarbonyloxy-2-[1-[(R)-(4-methylphenyl)sulfinyl]cyclopropyl]pyrrolidine-1-carboxylate, Ethyl 3-(ethoxycarbonyloxy)-2-(1-(4-tolylsulfinyl)cyclopropyl)-1-pyrrolidinecarboxylate
| Molecular Formula | C20H27NO6S |
|---|---|
| Molecular Weight | 409.16 g/mol |
| LogP | 3.40772 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.1559 |
| Heavy Atoms | 28 |
| Complexity | 745.56775 |
Chemical Identifiers
| CAS Number | 145568-18-9 |
|---|---|
| SMILES | CCOC(=O)N1CC[C@H]([C@@H]1C2(CC2)[S@](=O)C3=CC=C(C=C3)C)OC(=O)OCC |
Product Overview
ethyl ECOTSPEC (CAS 145568-18-9), with molecular formula C20H27NO6S and molecular weight 409.16 g/mol. IUPAC: ethyl (2R,3R)-3-ethoxycarbonyloxy-2-[1-[(R)-(4-methylphenyl)sulfinyl]cyclopropyl]pyrrolidine-1-carboxylate.
Chemical Property Profile of ethyl ECOTSPEC
Property Insights of ethyl ECOTSPEC
The XLogP value of 3.40772 indicates that ethyl ECOTSPEC is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.14 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl ECOTSPEC. Following Lipinski's Rule of Five, ethyl ECOTSPEC has 0 hydrogen bond donor(s) and 6 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 ECOTSPEC?
The CAS number of ethyl ECOTSPEC is 145568-18-9.
What is the molecular formula of ethyl ECOTSPEC?
The molecular formula of ethyl ECOTSPEC is C20H27NO6S.
What is the molecular weight of ethyl ECOTSPEC?
The molecular weight of ethyl ECOTSPEC is 409.16 g/mol.
Where can I buy ethyl ECOTSPEC?
You can request a quote for ethyl ECOTSPEC directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl ECOTSPEC?
Yes, KEHONG BIO provides custom synthesis services for ethyl ECOTSPEC and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.