Monoacetyl-O-bikaverin
TL;DR: Monoacetyl-O-bikaverin (CAS 33791-86-5) is a chemical compound with molecular formula C22H16O9 and molecular weight 424.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(11-hydroxy-3,8-dimethoxy-1-methyl-7,10,12-trioxobenzo[b]xanthen-6-yl) acetate
Also Known As: Monoacetyl-O-bikaverin, 11-Bromoundecyl methacrylate, 10H-Benzo(b)xanthene-7,10,12-trione, 6,11-dihydroxy-3,8-dimethoxy-1-methyl-, 6-acetate, 6,11-Dihydroxy-3,8-dimethoxy-1-methyl-10H-benzo(b)xanthene-7,10,12-trione 6-acetate, (11-hydroxy-3,8-dimethoxy-1-methyl-7,10,12-trioxobenzo[b]xanthen-6-yl) acetate
| Molecular Formula | C22H16O9 |
|---|---|
| Molecular Weight | 424.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.07944 |
| Heavy Atoms | 31 |
| Complexity | 833.0 |
Chemical Identifiers
| CAS Number | 33791-86-5 |
|---|---|
| SMILES | CC1=CC(=CC2=C1C(=O)C3=C(C4=C(C(=C3O2)OC(=O)C)C(=O)C(=CC4=O)OC)O)OC |
| InChIKey | JYJFQVAQBDZVNU-UHFFFAOYSA-N |
Product Overview
Monoacetyl-O-bikaverin (CAS 33791-86-5), with molecular formula C22H16O9 and molecular weight 424.08 g/mol. IUPAC: (11-hydroxy-3,8-dimethoxy-1-methyl-7,10,12-trioxobenzo[b]xanthen-6-yl) acetate.
Chemical Property Profile of Monoacetyl-O-bikaverin
Property Insights of Monoacetyl-O-bikaverin
The XLogP value of 3.0 indicates that Monoacetyl-O-bikaverin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Monoacetyl-O-bikaverin. Following Lipinski's Rule of Five, Monoacetyl-O-bikaverin has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Monoacetyl-O-bikaverin?
The CAS number of Monoacetyl-O-bikaverin is 33791-86-5.
What is the molecular formula of Monoacetyl-O-bikaverin?
The molecular formula of Monoacetyl-O-bikaverin is C22H16O9.
What is the molecular weight of Monoacetyl-O-bikaverin?
The molecular weight of Monoacetyl-O-bikaverin is 424.08 g/mol.
Where can I buy Monoacetyl-O-bikaverin?
You can request a quote for Monoacetyl-O-bikaverin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Monoacetyl-O-bikaverin?
Yes, KEHONG BIO provides custom synthesis services for Monoacetyl-O-bikaverin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.