Paecilotoxin
TL;DR: Paecilotoxin (CAS 39405-64-6) is a chemical compound with molecular formula C58H102N10O13 and molecular weight 1146.76 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-[(2S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[1-[(4-amino-4-oxobutyl)amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-hydroxy-4-methyl-1-oxopentan-2-yl]amino]-6-hydroxy-4-methyl-1,8-dioxodecan-2-yl]-4-methyl-1-[(E,4S)-4-methylhex-2-enoyl]pyrrolidine-2-carboxamide
Also Known As: Paecilotoxin, LEUCINOSTATIN, Antibiotic A 20668, A 20668 (antibiotic), A 20668
| Molecular Formula | C58H102N10O13 |
|---|---|
| Molecular Weight | 1146.76 g/mol |
| LogP | 2.0865 |
| Topological Polar Surface Area | 353.73 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 35 |
| Exact Mass | 1146.7628 |
| Heavy Atoms | 81 |
| Complexity | 2212.4382 |
Chemical Identifiers
| CAS Number | 39405-64-6 |
|---|---|
| SMILES | CC[C@H](C)/C=C/C(=O)N1CC(C[C@H]1C(=O)N[C@@H](CC(C)CC(CC(=O)CC)O)C(=O)N[C@@H](C(C(C)C)O)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCCC(=O)N)C |
Product Overview
Paecilotoxin (CAS 39405-64-6), with molecular formula C58H102N10O13 and molecular weight 1146.76 g/mol. IUPAC: (2S)-N-[(2S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[1-[(4-amino-4-oxobutyl)amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-hydroxy-4-methyl-1-oxopentan-2-yl]amino]-6-hydroxy-4-methyl-1,8-dioxodecan-2-yl]-4-methyl-1-[(E,4S)-4-methylhex-2-enoyl]pyrrolidine-2-carboxamide.
Chemical Property Profile of Paecilotoxin
Property Insights of Paecilotoxin
The XLogP value of 2.0865 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Paecilotoxin. The TPSA of 353.73 Ų indicates high polarity, suggesting Paecilotoxin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Paecilotoxin has 11 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Paecilotoxin?
The CAS number of Paecilotoxin is 39405-64-6.
What is the molecular formula of Paecilotoxin?
The molecular formula of Paecilotoxin is C58H102N10O13.
What is the molecular weight of Paecilotoxin?
The molecular weight of Paecilotoxin is 1146.76 g/mol.
Where can I buy Paecilotoxin?
You can request a quote for Paecilotoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Paecilotoxin?
Yes, KEHONG BIO provides custom synthesis services for Paecilotoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.