Bacitracin F
TL;DR: Bacitracin F (CAS 22601-63-4) is a chemical compound with molecular formula C66H98N16O17S and molecular weight 1418.70 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[1-[[3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-15-butan-2-yl-6-(carboxymethyl)-9-(1H-imidazol-5-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclopentacos-21-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-[[4-methyl-2-[[2-(2-methylbutanoyl)-1,3-thiazole-4-carbonyl]amino]pentanoyl]amino]-5-oxopentanoic acid
Also Known As: Bacitracin F, Bacitracin F (~75per cent), B021, 5-[[1-[[3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-15-butan-2-yl-6-(carboxymethyl)-9-(1H-imidazol-5-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclopentacos-21-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-[[4-methyl-2-[[2-(2-methylbutanoyl)-1,3-thiazole-4-carbonyl]amino]pentanoyl]amino]-5-oxopentanoic acid, 5-[[1-[[3-(2-amino-2-oxo-ethyl)-18-(3-aminopropyl)-12-benzyl-6-(carboxymethyl)-9-(1H-imidazol-5-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-15-sec-butyl-1,4,7,10,13,16,19-heptazacyclopentacos-21-yl]carbamoyl]-2-methyl-butyl]amino]-4-[[4-methyl-2-[[2-(2-methylbutanoyl)thiazole-4-carbonyl]amino]pentanoyl]amino]-5-oxo-pentanoic acid
| Molecular Formula | C66H98N16O17S |
|---|---|
| Molecular Weight | 1418.70 g/mol |
| LogP | -0.5658 |
| Topological Polar Surface Area | 522.45 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 31 |
| Exact Mass | 1418.7017 |
| Heavy Atoms | 100 |
| Complexity | 3314.92 |
Chemical Identifiers
| CAS Number | 22601-63-4 |
|---|---|
| SMILES | CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCCCCC(C(=O)NC(C(=O)N1)CCCN)NC(=O)C(C(C)CC)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C2=CSC(=N2)C(=O)C(C)CC)CC(=O)N)CC(=O)O)CC3=CN=CN3)CC4=CC=CC=C4 |
Product Overview
Bacitracin F (CAS 22601-63-4), with molecular formula C66H98N16O17S and molecular weight 1418.70 g/mol. IUPAC: 5-[[1-[[3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-15-butan-2-yl-6-(carboxymethyl)-9-(1H-imidazol-5-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclopentacos-21-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-[[4-methyl-2-[[2-(2-methylbutanoyl)-1,3-thiazole-4-carbonyl]amino]pentanoyl]amino]-5-oxopentanoic acid.
Chemical Property Profile of Bacitracin F
Property Insights of Bacitracin F
The XLogP value of -0.5658 indicates that Bacitracin F is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 522.45 Ų indicates high polarity, suggesting Bacitracin F may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bacitracin F has 16 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bacitracin F?
The CAS number of Bacitracin F is 22601-63-4.
What is the molecular formula of Bacitracin F?
The molecular formula of Bacitracin F is C66H98N16O17S.
What is the molecular weight of Bacitracin F?
The molecular weight of Bacitracin F is 1418.70 g/mol.
Where can I buy Bacitracin F?
You can request a quote for Bacitracin F directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bacitracin F?
Yes, KEHONG BIO provides custom synthesis services for Bacitracin F and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.