Echinocandin B
TL;DR: Echinocandin B (CAS 79814-65-6) is a chemical compound with molecular formula C52H81N7O16 and molecular weight 1059.57 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9E,12E)-N-[6-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis(1-hydroxyethyl)-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]octadeca-9,12-dienamide
Also Known As: Echinocandin B, cyclo-[(4R,5R)-4,5-dihydroxy-N2-octadeca-9c,12c-dienoyl-L-or, (9E,12E)-N-[6-[1,2-Dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis(1-hydroxyethyl)-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]octadeca-9,12-dienamide
| Molecular Formula | C52H81N7O16 |
|---|---|
| Molecular Weight | 1059.57 g/mol |
| LogP | -1.3304 |
| Topological Polar Surface Area | 368.19 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 20 |
| Exact Mass | 1059.574 |
| Heavy Atoms | 75 |
| Complexity | 2108.8303 |
Chemical Identifiers
| CAS Number | 79814-65-6 |
|---|---|
| SMILES | CCCCC/C=C/C/C=C/CCCCCCCC(=O)NC1CC(C(NC(=O)C2C(C(CN2C(=O)C(NC(=O)C(NC(=O)C3CC(CN3C(=O)C(NC1=O)C(C)O)O)C(C(C4=CC=C(C=C4)O)O)O)C(C)O)C)O)O)O |
Product Overview
Echinocandin B (CAS 79814-65-6), with molecular formula C52H81N7O16 and molecular weight 1059.57 g/mol. IUPAC: (9E,12E)-N-[6-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis(1-hydroxyethyl)-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]octadeca-9,12-dienamide.
Chemical Property Profile of Echinocandin B
Property Insights of Echinocandin B
The XLogP value of -1.3304 indicates that Echinocandin B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 368.19 Ų indicates high polarity, suggesting Echinocandin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Echinocandin B has 14 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Echinocandin B?
The CAS number of Echinocandin B is 79814-65-6.
What is the molecular formula of Echinocandin B?
The molecular formula of Echinocandin B is C52H81N7O16.
What is the molecular weight of Echinocandin B?
The molecular weight of Echinocandin B is 1059.57 g/mol.
Where can I buy Echinocandin B?
You can request a quote for Echinocandin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Echinocandin B?
Yes, KEHONG BIO provides custom synthesis services for Echinocandin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.