N-trifluoroacetylproline anhydride
TL;DR: N-trifluoroacetylproline anhydride (CAS 6963-11-7) is a chemical compound with molecular formula C14H14F6N2O5 and molecular weight 404.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbonyl] (2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate
Also Known As: N-TA-Pro-A, N-Trifluoroacetylproline anhydride, KST-1A0282, L-Proline, 1-(trifluoroacetyl)-, anhydride, (S,S)-N-Trifluoroacetylproline anhydride
| Molecular Formula | C14H14F6N2O5 |
|---|---|
| Molecular Weight | 404.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 84.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.0807 |
| Heavy Atoms | 27 |
| Complexity | 593.0 |
Chemical Identifiers
| CAS Number | 6963-11-7 |
|---|---|
| SMILES | C1C[C@H](N(C1)C(=O)C(F)(F)F)C(=O)OC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F |
| InChIKey | XTEMTLUJKNBNNQ-YUMQZZPRSA-N |
Product Overview
N-trifluoroacetylproline anhydride (CAS 6963-11-7), with molecular formula C14H14F6N2O5 and molecular weight 404.08 g/mol. IUPAC: [(2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbonyl] (2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate.
Chemical Property Profile of N-trifluoroacetylproline anhydride
Property Insights of N-trifluoroacetylproline anhydride
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-trifluoroacetylproline anhydride. The TPSA of 84.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-trifluoroacetylproline anhydride. Following Lipinski's Rule of Five, N-trifluoroacetylproline anhydride has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-trifluoroacetylproline anhydride?
The CAS number of N-trifluoroacetylproline anhydride is 6963-11-7.
What is the molecular formula of N-trifluoroacetylproline anhydride?
The molecular formula of N-trifluoroacetylproline anhydride is C14H14F6N2O5.
What is the molecular weight of N-trifluoroacetylproline anhydride?
The molecular weight of N-trifluoroacetylproline anhydride is 404.08 g/mol.
Where can I buy N-trifluoroacetylproline anhydride?
You can request a quote for N-trifluoroacetylproline anhydride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-trifluoroacetylproline anhydride?
Yes, KEHONG BIO provides custom synthesis services for N-trifluoroacetylproline anhydride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.