16-Acetylgitoxin
TL;DR: 16-Acetylgitoxin (CAS 7242-07-1) is a chemical compound with molecular formula C43H66O15 and molecular weight 822.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
Also Known As: 16-Acetylgitoxin, Acetylgitoxin-beta, Acetyl-16-gitoxine, 16-O-Acetylgitoxin, 16-acetyl-gitoxin
| Molecular Formula | C43H66O15 |
|---|---|
| Molecular Weight | 822.44 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 209.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 9 |
| Exact Mass | 822.4402 |
| Heavy Atoms | 58 |
| Complexity | 1560.0 |
Chemical Identifiers
| CAS Number | 7242-07-1 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CC(C7C8=CC(=O)OC8)OC(=O)C)O)C)C)C)C)O)O |
| InChIKey | NEBPBFLVSYFRQE-UHFFFAOYSA-N |
Product Overview
16-Acetylgitoxin (CAS 7242-07-1), with molecular formula C43H66O15 and molecular weight 822.44 g/mol. IUPAC: [3-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate.
Chemical Property Profile of 16-Acetylgitoxin
Property Insights of 16-Acetylgitoxin
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 16-Acetylgitoxin. The TPSA of 209.0 Ų indicates high polarity, suggesting 16-Acetylgitoxin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 16-Acetylgitoxin has 5 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 16-Acetylgitoxin?
The CAS number of 16-Acetylgitoxin is 7242-07-1.
What is the molecular formula of 16-Acetylgitoxin?
The molecular formula of 16-Acetylgitoxin is C43H66O15.
What is the molecular weight of 16-Acetylgitoxin?
The molecular weight of 16-Acetylgitoxin is 822.44 g/mol.
Where can I buy 16-Acetylgitoxin?
You can request a quote for 16-Acetylgitoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16-Acetylgitoxin?
Yes, KEHONG BIO provides custom synthesis services for 16-Acetylgitoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.