Corynetoxin HI7a
TL;DR: Corynetoxin HI7a (CAS 82151-55-1) is a chemical compound with molecular formula C40H68N4O17 and molecular weight 876.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]-3-hydroxy-14-methylhexadecanamide
Also Known As: Corynetoxin HI7a, 2,4(1H,3H)-Pyrimidinedione, 1-((11S)-11-O-(2-(acetylamino)-2-deoxy-alpha-D-glucopyranosyl)-6,10-dideoxy-10-((3-hydroxy-14-methyl-1-oxohexadecyl)amino)-L-galacto-beta-D-allo-undecodialdo-1,4-furanose-11,7-pyranos-1-yl)-, N-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]-3-hydroxy-14-methylhexadecanamide
| Molecular Formula | C40H68N4O17 |
|---|---|
| Molecular Weight | 876.46 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 327.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 23 |
| Exact Mass | 876.45795 |
| Heavy Atoms | 61 |
| Complexity | 1450.0 |
Chemical Identifiers
| CAS Number | 82151-55-1 |
|---|---|
| SMILES | CCC(C)CCCCCCCCCCC(CC(=O)NC1C(C(C(OC1OC2C(C(C(C(O2)CO)O)O)NC(=O)C)CC(C3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)O)O)O)O |
| InChIKey | DFSIRIGCTBKPHD-UHFFFAOYSA-N |
Product Overview
Corynetoxin HI7a (CAS 82151-55-1), with molecular formula C40H68N4O17 and molecular weight 876.46 g/mol. IUPAC: N-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]-3-hydroxy-14-methylhexadecanamide.
Chemical Property Profile of Corynetoxin HI7a
Property Insights of Corynetoxin HI7a
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Corynetoxin HI7a. The TPSA of 327.0 Ų indicates high polarity, suggesting Corynetoxin HI7a may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Corynetoxin HI7a has 12 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Corynetoxin HI7a?
The CAS number of Corynetoxin HI7a is 82151-55-1.
What is the molecular formula of Corynetoxin HI7a?
The molecular formula of Corynetoxin HI7a is C40H68N4O17.
What is the molecular weight of Corynetoxin HI7a?
The molecular weight of Corynetoxin HI7a is 876.46 g/mol.
Where can I buy Corynetoxin HI7a?
You can request a quote for Corynetoxin HI7a directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Corynetoxin HI7a?
Yes, KEHONG BIO provides custom synthesis services for Corynetoxin HI7a and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.