粘杆菌素
TL;DR: 粘杆菌素 (CAS 1066-17-7) is a chemical compound with molecular formula C52H98N16O13 and molecular weight 1154.75 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
粘杆菌素
N-[4-amino-1-[[1-[[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-3-(1-hydroxyethyl)-12,15-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-methylheptanamide
Also Known As: Colistin b, Polymyxin E2, Colistin (INN), Sogecoli (TN), polymyxin E2 sulfate
| Molecular Formula | C52H98N16O13 |
|---|---|
| Molecular Weight | 1154.75 g/mol |
| LogP | -5.8315 |
| Topological Polar Surface Area | 490.66 Ų |
| Hydrogen Bond Donors | 18 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 28 |
| Exact Mass | 1154.7499 |
| Heavy Atoms | 81 |
| Complexity | 2047.1985 |
Chemical Identifiers
| CAS Number | 1066-17-7 |
|---|---|
| SMILES | CC(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)CC(C)C)CC(C)C)CCN)CCN)C(C)O |
Product Overview
粘杆菌素 (CAS 1066-17-7), with molecular formula C52H98N16O13 and molecular weight 1154.75 g/mol. IUPAC: N-[4-amino-1-[[1-[[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-3-(1-hydroxyethyl)-12,15-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-methylheptanamide.
Chemical Property Profile of 粘杆菌素
Property Insights of 粘杆菌素
The XLogP value of -5.8315 indicates that 粘杆菌素 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 490.66 Ų indicates high polarity, suggesting 粘杆菌素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 粘杆菌素 has 18 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 粘杆菌素?
The CAS number of 粘杆菌素 is 1066-17-7.
What is the molecular formula of 粘杆菌素?
The molecular formula of 粘杆菌素 is C52H98N16O13.
What is the molecular weight of 粘杆菌素?
The molecular weight of 粘杆菌素 is 1154.75 g/mol.
Where can I buy 粘杆菌素?
You can request a quote for 粘杆菌素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 粘杆菌素?
Yes, KEHONG BIO provides custom synthesis services for 粘杆菌素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.