Mono-O-benzoyl bikaverin
TL;DR: Mono-O-benzoyl bikaverin (CAS 56548-96-0) is a chemical compound with molecular formula C27H18O9 and molecular weight 486.10 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) benzoate
Also Known As: Mono-O-benzoyl bikaverin, 10H-Benzo(b)xanthene-7,10,12-trione, 6,11-dihydroxy-3,8-dimethoxy-1-methyl-, 6-benzoate, 6,11-Dihydroxy-3,8-dimethoxy-1-methyl-10H-benzo(b)xanthene-7,10,12-trione 6-benzoate, (11-hydroxy-3,8-dimethoxy-1-methyl-7,10,12-trioxobenzo[b]xanthen-6-yl) benzoate, 10H-Benzo[b]xanthene-7,10,12-trione, 11-hydroxy-3,8-dimethoxy-1-methyl-6-(phenylmethoxy)-
| Molecular Formula | C27H18O9 |
|---|---|
| Molecular Weight | 486.10 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 486.0951 |
| Heavy Atoms | 36 |
| Complexity | 951.0 |
Chemical Identifiers
| CAS Number | 56548-96-0 |
|---|---|
| SMILES | CC1=CC(=CC2=C1C(=O)C3=C(C4=C(C(=C3O2)OC(=O)C5=CC=CC=C5)C(=O)C(=CC4=O)OC)O)OC |
| InChIKey | HSNOJHKJEPBXME-UHFFFAOYSA-N |
Product Overview
Mono-O-benzoyl bikaverin (CAS 56548-96-0), with molecular formula C27H18O9 and molecular weight 486.10 g/mol. IUPAC: (11-hydroxy-3,8-dimethoxy-1-methyl-7,10,12-trioxobenzo[b]xanthen-6-yl) benzoate.
Chemical Property Profile of Mono-O-benzoyl bikaverin
Property Insights of Mono-O-benzoyl bikaverin
The XLogP value of 4.6 indicates that Mono-O-benzoyl 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 Mono-O-benzoyl bikaverin. Following Lipinski's Rule of Five, Mono-O-benzoyl 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 Mono-O-benzoyl bikaverin?
The CAS number of Mono-O-benzoyl bikaverin is 56548-96-0.
What is the molecular formula of Mono-O-benzoyl bikaverin?
The molecular formula of Mono-O-benzoyl bikaverin is C27H18O9.
What is the molecular weight of Mono-O-benzoyl bikaverin?
The molecular weight of Mono-O-benzoyl bikaverin is 486.10 g/mol.
Where can I buy Mono-O-benzoyl bikaverin?
You can request a quote for Mono-O-benzoyl bikaverin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mono-O-benzoyl bikaverin?
Yes, KEHONG BIO provides custom synthesis services for Mono-O-benzoyl bikaverin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.