Polypeptin A
TL;DR: Polypeptin A (CAS 59866-83-0) is a chemical compound with molecular formula C55H94N12O12 and molecular weight 1114.71 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12,21,27-tris(2-aminoethyl)-18-benzyl-24,31-di(butan-2-yl)-3-(1-hydroxyethyl)-6,15-bis(2-methylpropyl)-9-propan-2-yl-1-oxa-4,7,10,13,16,19,22,25,28-nonazacyclohentriacontane-2,5,8,11,14,17,20,23,26,29-decone
Also Known As: Polypeptin A, cyclo[DL-Dab-DL-Phe-DL-Leu-DL-Dab-DL-Val-DL-Leu-DL-xiThr-ObAla(3-sBu)-DL-Dab-DL-xiIle], 12,21,27-tris(2-aminoethyl)-18-benzyl-24,31-di(butan-2-yl)-3-(1-hydroxyethyl)-6,15-bis(2-methylpropyl)-9-propan-2-yl-1-oxa-4,7,10,13,16,19,22,25,28-nonazacyclohentriacontane-2,5,8,11,14,17,20,23,26,29-decone
| Molecular Formula | C55H94N12O12 |
|---|---|
| Molecular Weight | 1114.71 g/mol |
| LogP | -0.8246 |
| Topological Polar Surface Area | 386.49 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 18 |
| Exact Mass | 1114.7114 |
| Heavy Atoms | 79 |
| Complexity | 2164.3516 |
Chemical Identifiers
| CAS Number | 59866-83-0 |
|---|---|
| SMILES | CCC(C)C1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)C(C)O)CC(C)C)C(C)C)CCN)CC(C)C)CC2=CC=CC=C2)CCN)C(C)CC)CCN |
Product Overview
Polypeptin A (CAS 59866-83-0), with molecular formula C55H94N12O12 and molecular weight 1114.71 g/mol. IUPAC: 12,21,27-tris(2-aminoethyl)-18-benzyl-24,31-di(butan-2-yl)-3-(1-hydroxyethyl)-6,15-bis(2-methylpropyl)-9-propan-2-yl-1-oxa-4,7,10,13,16,19,22,25,28-nonazacyclohentriacontane-2,5,8,11,14,17,20,23,26,29-decone.
Chemical Property Profile of Polypeptin A
Property Insights of Polypeptin A
The XLogP value of -0.8246 indicates that Polypeptin A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 386.49 Ų indicates high polarity, suggesting Polypeptin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Polypeptin A has 13 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Polypeptin A?
The CAS number of Polypeptin A is 59866-83-0.
What is the molecular formula of Polypeptin A?
The molecular formula of Polypeptin A is C55H94N12O12.
What is the molecular weight of Polypeptin A?
The molecular weight of Polypeptin A is 1114.71 g/mol.
Where can I buy Polypeptin A?
You can request a quote for Polypeptin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Polypeptin A?
Yes, KEHONG BIO provides custom synthesis services for Polypeptin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.