Baciguent
TL;DR: Baciguent (CAS 22601-59-8) is a chemical compound with molecular formula C66H103N17O16S and molecular weight 1421.75 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[[2-(1-amino-2-methylbutyl)-4,5-dihydro-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoyl]amino]-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]-5-oxopentanoic acid
Also Known As: Baciguent, bacitracin, Bacitracin A, Fortracin, Bacitracin A2a
| Molecular Formula | C66H103N17O16S |
|---|---|
| Molecular Weight | 1421.75 g/mol |
| LogP | -4.1 |
| Topological Polar Surface Area | 556.0 Ų |
| Hydrogen Bond Donors | 17 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 31 |
| Exact Mass | 1421.7489 |
| Heavy Atoms | 100 |
| Complexity | 2850.0 |
Chemical Identifiers
| CAS Number | 22601-59-8 |
|---|---|
| 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)C2CSC(=N2)C(C(C)CC)N)CC(=O)N)CC(=O)O)CC3=CN=CN3)CC4=CC=CC=C4 |
| InChIKey | CLKOFPXJLQSYAH-UHFFFAOYSA-N |
Product Overview
Baciguent (CAS 22601-59-8), with molecular formula C66H103N17O16S and molecular weight 1421.75 g/mol. IUPAC: 4-[[2-[[2-(1-amino-2-methylbutyl)-4,5-dihydro-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoyl]amino]-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]-5-oxopentanoic acid.
Chemical Property Profile of Baciguent
Property Insights of Baciguent
The XLogP value of -4.1 indicates that Baciguent is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 556.0 Ų indicates high polarity, suggesting Baciguent may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Baciguent has 17 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Baciguent?
The CAS number of Baciguent is 22601-59-8.
What is the molecular formula of Baciguent?
The molecular formula of Baciguent is C66H103N17O16S.
What is the molecular weight of Baciguent?
The molecular weight of Baciguent is 1421.75 g/mol.
Where can I buy Baciguent?
You can request a quote for Baciguent directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Baciguent?
Yes, KEHONG BIO provides custom synthesis services for Baciguent and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.