Benzyloxycarbonylalanyl-alanyl-prolyl-valine-trifluoromethyl ketone
TL;DR: Benzyloxycarbonylalanyl-alanyl-prolyl-valine-trifluoromethyl ketone (CAS 110407-54-0) is a chemical compound with molecular formula C25H33F3N4O6 and molecular weight 542.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carbonyl]amino]propan-2-yl]amino]propan-2-yl]carbamate
Also Known As: CAAPV, Cbz-ala-ala-pro-ambo-val-CF3, Benzyloxycarbonylalanyl-alanyl-prolyl-valine-trifluoromethyl ketone, 4-(3-Chloropropyl)-1,2-dimethoxybenzene, benzyl N-[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carbonyl]amino]propan-2-yl]amino]propan-2-yl]carbamate
| Molecular Formula | C25H33F3N4O6 |
|---|---|
| Molecular Weight | 542.24 g/mol |
| LogP | 2.0692 |
| Topological Polar Surface Area | 133.91 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 542.2352 |
| Heavy Atoms | 38 |
| Complexity | 1018.1009 |
Chemical Identifiers
| CAS Number | 110407-54-0 |
|---|---|
| SMILES | C[C@@H](C(=O)NC(=O)[C@@H]1CCCN1C(C(C)C)C(=O)C(F)(F)F)NC(=O)[C@H](C)NC(=O)OCC2=CC=CC=C2 |
Product Overview
Benzyloxycarbonylalanyl-alanyl-prolyl-valine-trifluoromethyl ketone (CAS 110407-54-0), with molecular formula C25H33F3N4O6 and molecular weight 542.24 g/mol. IUPAC: benzyl N-[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carbonyl]amino]propan-2-yl]amino]propan-2-yl]carbamate.
Chemical Property Profile of Benzyloxycarbonylalanyl-alanyl-prolyl-valine-trifluoromethyl ketone
Property Insights of Benzyloxycarbonylalanyl-alanyl-prolyl-valine-trifluoromethyl ketone
The XLogP value of 2.0692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyloxycarbonylalanyl-alanyl-prolyl-valine-trifluoromethyl ketone. The TPSA of 133.91 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyloxycarbonylalanyl-alanyl-prolyl-valine-trifluoromethyl ketone. Following Lipinski's Rule of Five, Benzyloxycarbonylalanyl-alanyl-prolyl-valine-trifluoromethyl ketone has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzyloxycarbonylalanyl-alanyl-prolyl-valine-trifluoromethyl ketone?
The CAS number of Benzyloxycarbonylalanyl-alanyl-prolyl-valine-trifluoromethyl ketone is 110407-54-0.
What is the molecular formula of Benzyloxycarbonylalanyl-alanyl-prolyl-valine-trifluoromethyl ketone?
The molecular formula of Benzyloxycarbonylalanyl-alanyl-prolyl-valine-trifluoromethyl ketone is C25H33F3N4O6.
What is the molecular weight of Benzyloxycarbonylalanyl-alanyl-prolyl-valine-trifluoromethyl ketone?
The molecular weight of Benzyloxycarbonylalanyl-alanyl-prolyl-valine-trifluoromethyl ketone is 542.24 g/mol.
Where can I buy Benzyloxycarbonylalanyl-alanyl-prolyl-valine-trifluoromethyl ketone?
You can request a quote for Benzyloxycarbonylalanyl-alanyl-prolyl-valine-trifluoromethyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyloxycarbonylalanyl-alanyl-prolyl-valine-trifluoromethyl ketone?
Yes, KEHONG BIO provides custom synthesis services for Benzyloxycarbonylalanyl-alanyl-prolyl-valine-trifluoromethyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.