Pomiferin, triacetate
TL;DR: Pomiferin, triacetate (CAS 6296-95-3) is a chemical compound with molecular formula C31H30O9 and molecular weight 546.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-acetyloxy-4-[5-acetyloxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-4-oxopyrano[2,3-h]chromen-3-yl]phenyl] acetate
Also Known As: Pomiferin triacetate, POMIFERIN, TRIACETATE, 4-[5-(acetyloxy)-8,8-dimethyl-6-(3-methylbut-2-en-1-yl)-4-oxo-4h,8h-pyrano[2,3-f]chromen-3-yl]benzene-1,2-diyl diacetate, anhydro-5-acetoxy-2-hydroxyoxazolo<3,2-a>quinolinium hydroxide, [2-acetyloxy-4-[5-acetyloxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-4-oxopyrano[2,3-h]chromen-3-yl]phenyl] acetate
| Molecular Formula | C31H30O9 |
|---|---|
| Molecular Weight | 546.19 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 546.18896 |
| Heavy Atoms | 40 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 6296-95-3 |
|---|---|
| SMILES | CC(=CCC1=C2C(=C3C(=C1OC(=O)C)C(=O)C(=CO3)C4=CC(=C(C=C4)OC(=O)C)OC(=O)C)C=CC(O2)(C)C)C |
| InChIKey | PEPZRPSXMUHEEA-UHFFFAOYSA-N |
Product Overview
Pomiferin, triacetate (CAS 6296-95-3), with molecular formula C31H30O9 and molecular weight 546.19 g/mol. IUPAC: [2-acetyloxy-4-[5-acetyloxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-4-oxopyrano[2,3-h]chromen-3-yl]phenyl] acetate.
Chemical Property Profile of Pomiferin, triacetate
Property Insights of Pomiferin, triacetate
The XLogP value of 5.3 indicates that Pomiferin, triacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pomiferin, triacetate. Following Lipinski's Rule of Five, Pomiferin, triacetate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pomiferin, triacetate?
The CAS number of Pomiferin, triacetate is 6296-95-3.
What is the molecular formula of Pomiferin, triacetate?
The molecular formula of Pomiferin, triacetate is C31H30O9.
What is the molecular weight of Pomiferin, triacetate?
The molecular weight of Pomiferin, triacetate is 546.19 g/mol.
Where can I buy Pomiferin, triacetate?
You can request a quote for Pomiferin, triacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pomiferin, triacetate?
Yes, KEHONG BIO provides custom synthesis services for Pomiferin, triacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.