N-tert-butoxycarbonyl-alanyl-alanyl-prolyl-aspartyl-4-nitroanilide
TL;DR: N-tert-butoxycarbonyl-alanyl-alanyl-prolyl-aspartyl-4-nitroanilide (CAS 1177232-47-1) is a chemical compound with molecular formula C26H36N6O10 and molecular weight 592.24927 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-4-amino-2-(N-[(2S)-1-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]-4-nitroanilino)-4-oxobutanoic acid
Also Known As: Baapap, Boc-ala-ala-pro-asp-pna, N-tert-Butoxycarbonyl-alanyl-alanyl-prolyl-aspartyl-4-nitroanilide, 3-(2,5-DIMETHYLPHENYL)PHENOL, (2S)-4-amino-2-(N-[(2S)-1-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]-4-nitroanilino)-4-oxobutanoic acid
Technical Specifications
| Molecular Formula | C26H36N6O10 |
| Molecular Weight | 592.24927 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 234.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 592.24927 Da |
| Heavy Atoms | 42 |
| Complexity | 1060.0 |
| SMILES | C[C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N(C2=CC=C(C=C2)[N+](=O)[O-])[C@@H](CC(=O)N)C(=O)O)NC(=O)OC(C)(C)C |
| InChIKey | KZFLVDCDFDWRDZ-LNMJFAINSA-N |
Chemical Property Profile of N-tert-butoxycarbonyl-alanyl-alanyl-prolyl-aspartyl-4-nitroanilide
Property Insights of N-tert-butoxycarbonyl-alanyl-alanyl-prolyl-aspartyl-4-nitroanilide
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-tert-butoxycarbonyl-alanyl-alanyl-prolyl-aspartyl-4-nitroanilide. The TPSA of 234.0 Ų indicates high polarity, suggesting N-tert-butoxycarbonyl-alanyl-alanyl-prolyl-aspartyl-4-nitroanilide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-tert-butoxycarbonyl-alanyl-alanyl-prolyl-aspartyl-4-nitroanilide has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of N-tert-butoxycarbonyl-alanyl-alanyl-prolyl-aspartyl-4-nitroanilide?
The CAS number of N-tert-butoxycarbonyl-alanyl-alanyl-prolyl-aspartyl-4-nitroanilide is 1177232-47-1.
What is the molecular formula of N-tert-butoxycarbonyl-alanyl-alanyl-prolyl-aspartyl-4-nitroanilide?
The molecular formula of N-tert-butoxycarbonyl-alanyl-alanyl-prolyl-aspartyl-4-nitroanilide is C26H36N6O10.
What is the molecular weight of N-tert-butoxycarbonyl-alanyl-alanyl-prolyl-aspartyl-4-nitroanilide?
The molecular weight of N-tert-butoxycarbonyl-alanyl-alanyl-prolyl-aspartyl-4-nitroanilide is 592.24927 g/mol.
Where can I buy N-tert-butoxycarbonyl-alanyl-alanyl-prolyl-aspartyl-4-nitroanilide?
You can request a quote for N-tert-butoxycarbonyl-alanyl-alanyl-prolyl-aspartyl-4-nitroanilide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-tert-butoxycarbonyl-alanyl-alanyl-prolyl-aspartyl-4-nitroanilide?
Yes, CoreyChem provides custom synthesis services for N-tert-butoxycarbonyl-alanyl-alanyl-prolyl-aspartyl-4-nitroanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.