Deoxymulundocandin
TL;DR: Deoxymulundocandin (CAS 138626-63-8) is a chemical compound with molecular formula C48H77N7O15 and molecular weight 991.55 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-methyl-N-[11,20,21,25-tetrahydroxy-15-(1-hydroxyethyl)-6-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(hydroxymethyl)-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]tetradecanamide
Also Known As: Deoxymulundocandin, 12-methyl-N-[11,20,21,25-tetrahydroxy-15-(1-hydroxyethyl)-6-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(hydroxymethyl)-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]tetradecanamide
| Molecular Formula | C48H77N7O15 |
|---|---|
| Molecular Weight | 991.55 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 348.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 18 |
| Exact Mass | 991.5478 |
| Heavy Atoms | 70 |
| Complexity | 1740.0 |
Chemical Identifiers
| CAS Number | 138626-63-8 |
|---|---|
| SMILES | CCC(C)CCCCCCCCCCC(=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(CC4=CC=C(C=C4)O)O)CO)C)O)O)O |
| InChIKey | GWBOEEVOSDBARW-UHFFFAOYSA-N |
Product Overview
Deoxymulundocandin (CAS 138626-63-8), with molecular formula C48H77N7O15 and molecular weight 991.55 g/mol. IUPAC: 12-methyl-N-[11,20,21,25-tetrahydroxy-15-(1-hydroxyethyl)-6-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(hydroxymethyl)-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]tetradecanamide.
Chemical Property Profile of Deoxymulundocandin
Property Insights of Deoxymulundocandin
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Deoxymulundocandin. The TPSA of 348.0 Ų indicates high polarity, suggesting Deoxymulundocandin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Deoxymulundocandin has 13 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Deoxymulundocandin?
The CAS number of Deoxymulundocandin is 138626-63-8.
What is the molecular formula of Deoxymulundocandin?
The molecular formula of Deoxymulundocandin is C48H77N7O15.
What is the molecular weight of Deoxymulundocandin?
The molecular weight of Deoxymulundocandin is 991.55 g/mol.
Where can I buy Deoxymulundocandin?
You can request a quote for Deoxymulundocandin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deoxymulundocandin?
Yes, KEHONG BIO provides custom synthesis services for Deoxymulundocandin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.