Neogitostin, acetate
TL;DR: Neogitostin, acetate (CAS 61186-33-2) is a chemical compound with molecular formula C60H84O28 and molecular weight 1252.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4,5-triacetyloxy-6-[[3,4,5-triacetyloxy-6-[5-acetyloxy-6-[[16-acetyloxy-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-3-yl]oxy]-4-methoxy-2-methyloxan-3-yl]oxyoxan-2-yl]methoxy]oxan-2-yl]methyl acetate
Also Known As: Neogitostin, acetate, [3,4,5-triacetyloxy-6-[[3,4,5-triacetyloxy-6-[5-acetyloxy-6-[[16-acetyloxy-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-3-yl]oxy]-4-methoxy-2-methyl-oxan-3-yl]oxy-oxan-2-yl]meth, [3,4,5-triacetyloxy-6-[[3,4,5-triacetyloxy-6-[5-acetyloxy-6-[[16-acetyloxy-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-3-yl]oxy]-4-methoxy-2-methyloxan-3-yl]oxyoxan-2-yl]methox, [3,4,5-triacetyloxy-6-[[3,4,5-triacetyloxy-6-[5-acetyloxy-6-[[16-acetyloxy-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-3-yl]oxy]-4-methoxy-2-methyloxan-3-yl]oxyoxan-2-yl]methoxy]oxan-2-yl]methyl acetate
| Molecular Formula | C60H84O28 |
|---|---|
| Molecular Weight | 1252.51 g/mol |
| LogP | 2.8666 |
| Topological Polar Surface Area | 347.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 28 |
| Rotatable Bonds | 19 |
| Exact Mass | 1252.5149 |
| Heavy Atoms | 88 |
| Complexity | 2676.9429 |
Chemical Identifiers
| CAS Number | 61186-33-2 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)OC(=O)C)O)C)C)OC(=O)C)OC)OC7C(C(C(C(O7)COC8C(C(C(C(O8)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
Product Overview
Neogitostin, acetate (CAS 61186-33-2), with molecular formula C60H84O28 and molecular weight 1252.51 g/mol. IUPAC: [3,4,5-triacetyloxy-6-[[3,4,5-triacetyloxy-6-[5-acetyloxy-6-[[16-acetyloxy-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-3-yl]oxy]-4-methoxy-2-methyloxan-3-yl]oxyoxan-2-yl]methoxy]oxan-2-yl]methyl acetate.
Chemical Property Profile of Neogitostin, acetate
Property Insights of Neogitostin, acetate
The XLogP value of 2.8666 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Neogitostin, acetate. The TPSA of 347.84 Ų indicates high polarity, suggesting Neogitostin, acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Neogitostin, acetate has 1 hydrogen bond donor(s) and 28 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Neogitostin, acetate?
The CAS number of Neogitostin, acetate is 61186-33-2.
What is the molecular formula of Neogitostin, acetate?
The molecular formula of Neogitostin, acetate is C60H84O28.
What is the molecular weight of Neogitostin, acetate?
The molecular weight of Neogitostin, acetate is 1252.51 g/mol.
Where can I buy Neogitostin, acetate?
You can request a quote for Neogitostin, acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neogitostin, acetate?
Yes, KEHONG BIO provides custom synthesis services for Neogitostin, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.