Polymyxin T1
TL;DR: Polymyxin T1 (CAS 63700-39-0) is a chemical compound with molecular formula C58H102N16O12 and molecular weight 1214.79 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-amino-1-[[1-[[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-15-benzyl-3,12-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methyloctanamide
Also Known As: Polymyxin T1, Polymyxin T(1), Polymyxin B1, 10-L-leucine, N-[4-amino-1-[[1-[[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-15-benzyl-3,12-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methyloctanamide
| Molecular Formula | C58H102N16O12 |
|---|---|
| Molecular Weight | 1214.79 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 470.0 Ų |
| Hydrogen Bond Donors | 17 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 30 |
| Exact Mass | 1214.7863 |
| Heavy Atoms | 86 |
| Complexity | 2170.0 |
Chemical Identifiers
| CAS Number | 63700-39-0 |
|---|---|
| SMILES | CCC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(C)O)C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCN)CC2=CC=CC=C2)CC(C)C)CCN)CCN)CC(C)C |
| InChIKey | IQLZHIIINCHIKY-UHFFFAOYSA-N |
Product Overview
Polymyxin T1 (CAS 63700-39-0), with molecular formula C58H102N16O12 and molecular weight 1214.79 g/mol. IUPAC: N-[4-amino-1-[[1-[[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-15-benzyl-3,12-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methyloctanamide.
Chemical Property Profile of Polymyxin T1
Property Insights of Polymyxin T1
The XLogP value of -1.1 indicates that Polymyxin T1 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 470.0 Ų indicates high polarity, suggesting Polymyxin T1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Polymyxin T1 has 17 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Polymyxin T1?
The CAS number of Polymyxin T1 is 63700-39-0.
What is the molecular formula of Polymyxin T1?
The molecular formula of Polymyxin T1 is C58H102N16O12.
What is the molecular weight of Polymyxin T1?
The molecular weight of Polymyxin T1 is 1214.79 g/mol.
Where can I buy Polymyxin T1?
You can request a quote for Polymyxin T1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Polymyxin T1?
Yes, KEHONG BIO provides custom synthesis services for Polymyxin T1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.