Acetylalanyl-alanyl-lysyl nitrite-phenylalanyl-alanyl-alaninamide
TL;DR: Acetylalanyl-alanyl-lysyl nitrite-phenylalanyl-alanyl-alaninamide (CAS 82867-31-0) is a chemical compound with molecular formula C29H45N9O9 and molecular weight 663.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]amino]-6-amino-N-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-nitrophenyl)propanoyl]amino]propanoyl]amino]propanoyl]hexanamide
Also Known As: A-A-A-L-NO2-P-A-A-A, (2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]amino]-6-amino-N-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-nitrophenyl)propanoyl]amino]propanoyl]amino]propanoyl]hexanamide, Acetylalanyl-alanyl-lysyl nitrite-phenylalanyl-alanyl-alaninamide, L-Alaninamide, N-acetyl-L-alanyl-L-alanyl-L-lysyl-4-nitro-L-phenylalanyl-L-alanyl-, (2S)-2-Amino-N-[(4S,7S,10S,14S,17S)-10-(4-aminobutyl)-2,5,8,13,16-pentahydroxy-4,7,14-trimethyl-11-oxo-3,6,9,12,15-pentaazaoctadeca-2,5,8,12,15-pentaen-17-yl]-3-(4-nitrophenyl)propanimidic acid
| Molecular Formula | C29H45N9O9 |
|---|---|
| Molecular Weight | 663.33 g/mol |
| LogP | -2.2401 |
| Topological Polar Surface Area | 286.85 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 18 |
| Exact Mass | 663.33405 |
| Heavy Atoms | 47 |
| Complexity | 1306.3331 |
Chemical Identifiers
| CAS Number | 82867-31-0 |
|---|---|
| SMILES | C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC1=CC=C(C=C1)[N+](=O)[O-])N)NC(=O)C |
Product Overview
Acetylalanyl-alanyl-lysyl nitrite-phenylalanyl-alanyl-alaninamide (CAS 82867-31-0), with molecular formula C29H45N9O9 and molecular weight 663.33 g/mol. IUPAC: (2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]amino]-6-amino-N-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-nitrophenyl)propanoyl]amino]propanoyl]amino]propanoyl]hexanamide.
Chemical Property Profile of Acetylalanyl-alanyl-lysyl nitrite-phenylalanyl-alanyl-alaninamide
Property Insights of Acetylalanyl-alanyl-lysyl nitrite-phenylalanyl-alanyl-alaninamide
The XLogP value of -2.2401 indicates that Acetylalanyl-alanyl-lysyl nitrite-phenylalanyl-alanyl-alaninamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 286.85 Ų indicates high polarity, suggesting Acetylalanyl-alanyl-lysyl nitrite-phenylalanyl-alanyl-alaninamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetylalanyl-alanyl-lysyl nitrite-phenylalanyl-alanyl-alaninamide has 8 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 Acetylalanyl-alanyl-lysyl nitrite-phenylalanyl-alanyl-alaninamide?
The CAS number of Acetylalanyl-alanyl-lysyl nitrite-phenylalanyl-alanyl-alaninamide is 82867-31-0.
What is the molecular formula of Acetylalanyl-alanyl-lysyl nitrite-phenylalanyl-alanyl-alaninamide?
The molecular formula of Acetylalanyl-alanyl-lysyl nitrite-phenylalanyl-alanyl-alaninamide is C29H45N9O9.
What is the molecular weight of Acetylalanyl-alanyl-lysyl nitrite-phenylalanyl-alanyl-alaninamide?
The molecular weight of Acetylalanyl-alanyl-lysyl nitrite-phenylalanyl-alanyl-alaninamide is 663.33 g/mol.
Where can I buy Acetylalanyl-alanyl-lysyl nitrite-phenylalanyl-alanyl-alaninamide?
You can request a quote for Acetylalanyl-alanyl-lysyl nitrite-phenylalanyl-alanyl-alaninamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetylalanyl-alanyl-lysyl nitrite-phenylalanyl-alanyl-alaninamide?
Yes, KEHONG BIO provides custom synthesis services for Acetylalanyl-alanyl-lysyl nitrite-phenylalanyl-alanyl-alaninamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.