Tetrahydroechinocandin B
TL;DR: Tetrahydroechinocandin B (CAS 54651-06-8) is a chemical compound with molecular formula C52H85N7O16 and molecular weight 1063.61 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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]octadecanamide
Also Known As: Tetrahydroechinocandin B, tetra-hydroechinocandin b, Echinocandin B, tetrahydro-, EX-A13441, L-687901
| Molecular Formula | C52H85N7O16 |
|---|---|
| Molecular Weight | 1063.61 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 368.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 22 |
| Exact Mass | 1063.6052 |
| Heavy Atoms | 75 |
| Complexity | 1840.0 |
Chemical Identifiers
| CAS Number | 54651-06-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=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 |
| InChIKey | CSFSSKWGOYOSPM-UHFFFAOYSA-N |
Product Overview
Tetrahydroechinocandin B (CAS 54651-06-8), with molecular formula C52H85N7O16 and molecular weight 1063.61 g/mol. IUPAC: 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]octadecanamide.
Chemical Property Profile of Tetrahydroechinocandin B
Property Insights of Tetrahydroechinocandin B
The XLogP value of 4.1 indicates that Tetrahydroechinocandin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 368.0 Ų indicates high polarity, suggesting Tetrahydroechinocandin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tetrahydroechinocandin 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 Tetrahydroechinocandin B?
The CAS number of Tetrahydroechinocandin B is 54651-06-8.
What is the molecular formula of Tetrahydroechinocandin B?
The molecular formula of Tetrahydroechinocandin B is C52H85N7O16.
What is the molecular weight of Tetrahydroechinocandin B?
The molecular weight of Tetrahydroechinocandin B is 1063.61 g/mol.
Where can I buy Tetrahydroechinocandin B?
You can request a quote for Tetrahydroechinocandin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrahydroechinocandin B?
Yes, KEHONG BIO provides custom synthesis services for Tetrahydroechinocandin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.