![4-Pentenoic acid, 2-(2,2,2-trifluoro-1-hydroxyethyl)-, ethyl ester, [R-(R*,S*)]- structure](/static/products/100/100083-62-3.png)
4-Pentenoic acid, 2-(2,2,2-trifluoro-1-hydroxyethyl)-, ethyl ester, [R-(R*,S*)]-
TL;DR: 4-Pentenoic acid, 2-(2,2,2-trifluoro-1-hydroxyethyl)-, ethyl ester, [R-(R*,S*)]- (CAS 100083-62-3) is a chemical compound with molecular formula C9H13F3O3 and molecular weight 226.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2,2,2-trifluoro-1-hydroxyethyl)pent-4-enoate
Also Known As: Ethyl 2-(2,2,2-trifluoro-1-hydroxyethyl)-4-pentenoate, ethyl 2-(2,2,2-trifluoro-1-hydroxyethyl)pent-4-enoate, Ethyl 2-(2,2,2-trifluoro-1-hydroxyethyl)-4-pentenoate #, Benzenemethanol,, A-(2,2-difluoro-1-nitroethyl)-, (R*,S*)- (9CI)
| Molecular Formula | C9H13F3O3 |
|---|---|
| Molecular Weight | 226.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 226.08168 |
| Heavy Atoms | 15 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 100083-62-3 |
|---|---|
| SMILES | CCOC(=O)C(CC=C)C(C(F)(F)F)O |
| InChIKey | YBAHDQHRTQXLDX-UHFFFAOYSA-N |
Product Overview
4-Pentenoic acid, 2-(2,2,2-trifluoro-1-hydroxyethyl)-, ethyl ester, [R-(R*,S*)]- (CAS 100083-62-3), with molecular formula C9H13F3O3 and molecular weight 226.08 g/mol. IUPAC: ethyl 2-(2,2,2-trifluoro-1-hydroxyethyl)pent-4-enoate.
Chemical Property Profile of 4-Pentenoic acid, 2-(2,2,2-trifluoro-1-hydroxyethyl)-, ethyl ester, [R-(R*,S*)]-
Property Insights of 4-Pentenoic acid, 2-(2,2,2-trifluoro-1-hydroxyethyl)-, ethyl ester, [R-(R*,S*)]-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pentenoic acid, 2-(2,2,2-trifluoro-1-hydroxyethyl)-, ethyl ester, [R-(R*,S*)]-. With a topological polar surface area (TPSA) of 46.5 Ų, 4-Pentenoic acid, 2-(2,2,2-trifluoro-1-hydroxyethyl)-, ethyl ester, [R-(R*,S*)]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Pentenoic acid, 2-(2,2,2-trifluoro-1-hydroxyethyl)-, ethyl ester, [R-(R*,S*)]- has 1 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 4-Pentenoic acid, 2-(2,2,2-trifluoro-1-hydroxyethyl)-, ethyl ester, [R-(R*,S*)]-?
The CAS number of 4-Pentenoic acid, 2-(2,2,2-trifluoro-1-hydroxyethyl)-, ethyl ester, [R-(R*,S*)]- is 100083-62-3.
What is the molecular formula of 4-Pentenoic acid, 2-(2,2,2-trifluoro-1-hydroxyethyl)-, ethyl ester, [R-(R*,S*)]-?
The molecular formula of 4-Pentenoic acid, 2-(2,2,2-trifluoro-1-hydroxyethyl)-, ethyl ester, [R-(R*,S*)]- is C9H13F3O3.
What is the molecular weight of 4-Pentenoic acid, 2-(2,2,2-trifluoro-1-hydroxyethyl)-, ethyl ester, [R-(R*,S*)]-?
The molecular weight of 4-Pentenoic acid, 2-(2,2,2-trifluoro-1-hydroxyethyl)-, ethyl ester, [R-(R*,S*)]- is 226.08 g/mol.
Where can I buy 4-Pentenoic acid, 2-(2,2,2-trifluoro-1-hydroxyethyl)-, ethyl ester, [R-(R*,S*)]-?
You can request a quote for 4-Pentenoic acid, 2-(2,2,2-trifluoro-1-hydroxyethyl)-, ethyl ester, [R-(R*,S*)]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pentenoic acid, 2-(2,2,2-trifluoro-1-hydroxyethyl)-, ethyl ester, [R-(R*,S*)]-?
Yes, KEHONG BIO provides custom synthesis services for 4-Pentenoic acid, 2-(2,2,2-trifluoro-1-hydroxyethyl)-, ethyl ester, [R-(R*,S*)]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.