![[3,4,5-triacetyloxy-6-[(4-methyl-6-oxo-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-3-yl)oxy]oxan-2-yl]methyl acetate structure](/static/products/4572/4572-87-6.webp)
[3,4,5-triacetyloxy-6-[(4-methyl-6-oxo-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-3-yl)oxy]oxan-2-yl]methyl acetate
TL;DR: [3,4,5-triacetyloxy-6-[(4-methyl-6-oxo-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-3-yl)oxy]oxan-2-yl]methyl acetate (CAS 4572-87-6) is a chemical compound with molecular formula C29H34O12 and molecular weight 574.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4,5-triacetyloxy-6-[(4-methyl-6-oxo-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-3-yl)oxy]oxan-2-yl]methyl acetate
Also Known As: [3,4,5-triacetyloxy-6-[(4-methyl-6-oxo-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-3-yl)oxy]oxan-2-yl]methyl acetate|4-Methyl-6-oxo-6,7,8,9,10,11-hexahydrobenzo[b]cyclohepta[d]pyran-3-yl 2,3,4,6-tetra-O-acetylhexopyranoside
| Molecular Formula | C29H34O12 |
|---|---|
| Molecular Weight | 574.21 g/mol |
| LogP | 2.83222 |
| Topological Polar Surface Area | 153.87 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 574.205 |
| Heavy Atoms | 41 |
| Complexity | 1392.4067 |
Chemical Identifiers
| CAS Number | 4572-87-6 |
|---|---|
| SMILES | CC1=C(C=CC2=C1OC(=O)C3=C2CCCCC3)OC4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
Product Overview
[3,4,5-triacetyloxy-6-[(4-methyl-6-oxo-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-3-yl)oxy]oxan-2-yl]methyl acetate (CAS 4572-87-6), with molecular formula C29H34O12 and molecular weight 574.21 g/mol. IUPAC: [3,4,5-triacetyloxy-6-[(4-methyl-6-oxo-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-3-yl)oxy]oxan-2-yl]methyl acetate.
Chemical Property Profile of [3,4,5-triacetyloxy-6-[(4-methyl-6-oxo-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-3-yl)oxy]oxan-2-yl]methyl acetate
Property Insights of [3,4,5-triacetyloxy-6-[(4-methyl-6-oxo-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-3-yl)oxy]oxan-2-yl]methyl acetate
The XLogP value of 2.83222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3,4,5-triacetyloxy-6-[(4-methyl-6-oxo-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-3-yl)oxy]oxan-2-yl]methyl acetate. The TPSA of 153.87 Ų indicates high polarity, suggesting [3,4,5-triacetyloxy-6-[(4-methyl-6-oxo-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-3-yl)oxy]oxan-2-yl]methyl acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [3,4,5-triacetyloxy-6-[(4-methyl-6-oxo-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-3-yl)oxy]oxan-2-yl]methyl acetate has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [3,4,5-triacetyloxy-6-[(4-methyl-6-oxo-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-3-yl)oxy]oxan-2-yl]methyl acetate?
The CAS number of [3,4,5-triacetyloxy-6-[(4-methyl-6-oxo-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-3-yl)oxy]oxan-2-yl]methyl acetate is 4572-87-6.
What is the molecular formula of [3,4,5-triacetyloxy-6-[(4-methyl-6-oxo-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-3-yl)oxy]oxan-2-yl]methyl acetate?
The molecular formula of [3,4,5-triacetyloxy-6-[(4-methyl-6-oxo-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-3-yl)oxy]oxan-2-yl]methyl acetate is C29H34O12.
What is the molecular weight of [3,4,5-triacetyloxy-6-[(4-methyl-6-oxo-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-3-yl)oxy]oxan-2-yl]methyl acetate?
The molecular weight of [3,4,5-triacetyloxy-6-[(4-methyl-6-oxo-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-3-yl)oxy]oxan-2-yl]methyl acetate is 574.21 g/mol.
Where can I buy [3,4,5-triacetyloxy-6-[(4-methyl-6-oxo-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-3-yl)oxy]oxan-2-yl]methyl acetate?
You can request a quote for [3,4,5-triacetyloxy-6-[(4-methyl-6-oxo-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-3-yl)oxy]oxan-2-yl]methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3,4,5-triacetyloxy-6-[(4-methyl-6-oxo-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-3-yl)oxy]oxan-2-yl]methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for [3,4,5-triacetyloxy-6-[(4-methyl-6-oxo-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-3-yl)oxy]oxan-2-yl]methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.