N-Anthraniloyl-alanyl-alanyl-phenylalanyl-4-nitroanilide
TL;DR: N-Anthraniloyl-alanyl-alanyl-phenylalanyl-4-nitroanilide (CAS 115664-72-7) is a chemical compound with molecular formula C28H30N6O6 and molecular weight 546.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-2-(4-nitroanilino)-3-phenylpropanoyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]benzamide
Also Known As: Ant-ala-ala-phe-4NA, N-Anthraniloyl-alanyl-alanyl-phenylalanyl-4-nitroanilide, 2-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-2-(4-nitroanilino)-3-phenylpropanoyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]benzamide, N-(2-Aminobenzoyl)-L-alanyl-N-[(2S)-2-(4-nitroanilino)-3-phenylpropanoyl]-L-alaninamide, RefChem:162878
| Molecular Formula | C28H30N6O6 |
|---|---|
| Molecular Weight | 546.22 g/mol |
| LogP | 2.1662 |
| Topological Polar Surface Area | 185.56 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 546.22266 |
| Heavy Atoms | 40 |
| Complexity | 1379.552 |
Chemical Identifiers
| CAS Number | 115664-72-7 |
|---|---|
| SMILES | C[C@@H](C(=O)N[C@@H](C)C(=O)NC(=O)[C@H](CC1=CC=CC=C1)NC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3N |
Product Overview
N-Anthraniloyl-alanyl-alanyl-phenylalanyl-4-nitroanilide (CAS 115664-72-7), with molecular formula C28H30N6O6 and molecular weight 546.22 g/mol. IUPAC: 2-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-2-(4-nitroanilino)-3-phenylpropanoyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]benzamide.
Chemical Property Profile of N-Anthraniloyl-alanyl-alanyl-phenylalanyl-4-nitroanilide
Property Insights of N-Anthraniloyl-alanyl-alanyl-phenylalanyl-4-nitroanilide
The XLogP value of 2.1662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Anthraniloyl-alanyl-alanyl-phenylalanyl-4-nitroanilide. The TPSA of 185.56 Ų indicates high polarity, suggesting N-Anthraniloyl-alanyl-alanyl-phenylalanyl-4-nitroanilide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Anthraniloyl-alanyl-alanyl-phenylalanyl-4-nitroanilide has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Anthraniloyl-alanyl-alanyl-phenylalanyl-4-nitroanilide?
The CAS number of N-Anthraniloyl-alanyl-alanyl-phenylalanyl-4-nitroanilide is 115664-72-7.
What is the molecular formula of N-Anthraniloyl-alanyl-alanyl-phenylalanyl-4-nitroanilide?
The molecular formula of N-Anthraniloyl-alanyl-alanyl-phenylalanyl-4-nitroanilide is C28H30N6O6.
What is the molecular weight of N-Anthraniloyl-alanyl-alanyl-phenylalanyl-4-nitroanilide?
The molecular weight of N-Anthraniloyl-alanyl-alanyl-phenylalanyl-4-nitroanilide is 546.22 g/mol.
Where can I buy N-Anthraniloyl-alanyl-alanyl-phenylalanyl-4-nitroanilide?
You can request a quote for N-Anthraniloyl-alanyl-alanyl-phenylalanyl-4-nitroanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Anthraniloyl-alanyl-alanyl-phenylalanyl-4-nitroanilide?
Yes, KEHONG BIO provides custom synthesis services for N-Anthraniloyl-alanyl-alanyl-phenylalanyl-4-nitroanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.