Butan-2-yl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate
TL;DR: Butan-2-yl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate (CAS 5362-20-9) is a chemical compound with molecular formula C11H16F3NO3 and molecular weight 267.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate
Also Known As: 1-[3-(2-bromophenoxy)propyl]imidazole, L-Proline, 1-(trifluoroacetyl)-, 1-methylpropyl ester, butan-2-yl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate
| Molecular Formula | C11H16F3NO3 |
|---|---|
| Molecular Weight | 267.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.10822 |
| Heavy Atoms | 18 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 5362-20-9 |
|---|---|
| SMILES | CCC(C)OC(=O)C1CCCN1C(=O)C(F)(F)F |
| InChIKey | GNEZCOPNKMDDTM-UHFFFAOYSA-N |
Product Overview
Butan-2-yl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate (CAS 5362-20-9), with molecular formula C11H16F3NO3 and molecular weight 267.11 g/mol. IUPAC: butan-2-yl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate.
Chemical Property Profile of Butan-2-yl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate
Property Insights of Butan-2-yl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butan-2-yl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate. With a topological polar surface area (TPSA) of 46.6 Ų, Butan-2-yl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butan-2-yl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate 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 Butan-2-yl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate?
The CAS number of Butan-2-yl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate is 5362-20-9.
What is the molecular formula of Butan-2-yl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate?
The molecular formula of Butan-2-yl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate is C11H16F3NO3.
What is the molecular weight of Butan-2-yl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate?
The molecular weight of Butan-2-yl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate is 267.11 g/mol.
Where can I buy Butan-2-yl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate?
You can request a quote for Butan-2-yl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butan-2-yl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Butan-2-yl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.