AcWIA
TL;DR: AcWIA (CAS 130517-75-8) is a chemical compound with molecular formula C57H91N11O12 and molecular weight 1121.68 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-1-[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carboxylate
Also Known As: AcWIA, Acetyl-tryptophyl-isoleucyl-alanyl-aminoisobutyryl-isoleucyl-valyl-aminoisobutyryl-leucyl-aminoisobutyryl-proline methyl ester, methyl (2S)-1-[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carboxylate, acetyl-tryptophyl-isoleucyl-alanyl-aminoisobutyryl-isoleucyl-valyl-aminoisobutyryl-leucyl-aminoisobu, L-Proline, 1-(N-(N-(N-(N-(N-(N-(N-(N-(N-acetyl-L-tryptophyl)-L-isoleucyl)-L-alanyl)-2-methylalanyl)-L-isoleucyl)-L-valyl)-2-methylalanyl)-L-leucyl)-2-methylalanyl)-, methyl ester
| Molecular Formula | C57H91N11O12 |
|---|---|
| Molecular Weight | 1121.68 g/mol |
| LogP | 2.3017 |
| Topological Polar Surface Area | 324.3 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 28 |
| Exact Mass | 1121.6848 |
| Heavy Atoms | 80 |
| Complexity | 2573.9187 |
Chemical Identifiers
| CAS Number | 130517-75-8 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)OC)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)C |
Product Overview
AcWIA (CAS 130517-75-8), with molecular formula C57H91N11O12 and molecular weight 1121.68 g/mol. IUPAC: methyl (2S)-1-[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carboxylate.
Chemical Property Profile of AcWIA
Property Insights of AcWIA
The XLogP value of 2.3017 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AcWIA. The TPSA of 324.3 Ų indicates high polarity, suggesting AcWIA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AcWIA has 10 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AcWIA?
The CAS number of AcWIA is 130517-75-8.
What is the molecular formula of AcWIA?
The molecular formula of AcWIA is C57H91N11O12.
What is the molecular weight of AcWIA?
The molecular weight of AcWIA is 1121.68 g/mol.
Where can I buy AcWIA?
You can request a quote for AcWIA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AcWIA?
Yes, KEHONG BIO provides custom synthesis services for AcWIA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.