Retrojusticidin B
TL;DR: Retrojusticidin B (CAS 82001-16-9) is a chemical compound with molecular formula C21H16O6 and molecular weight 364.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3H-benzo[f][2]benzofuran-1-one
Also Known As: Retrojusticidin B, 4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3H-benzo[f][2]benzofuran-1-one, 4-(2H-Benzo(3,4-d)1,3-dioxolan-5-yl)-6,7-dimethoxy-3-hydrobenzo(f)isobenzofuran-1-one, 4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3H-benzo(f)(2)benzofuran-1-one, 4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3H-benzo[f]isobenzofuran-1-one
| Molecular Formula | C21H16O6 |
|---|---|
| Molecular Weight | 364.09 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.0947 |
| Heavy Atoms | 27 |
| Complexity | 567.0 |
Chemical Identifiers
| CAS Number | 82001-16-9 |
|---|---|
| SMILES | COC1=CC2=CC3=C(COC3=O)C(=C2C=C1OC)C4=CC5=C(C=C4)OCO5 |
| InChIKey | TXDMVCNSUVLKHW-UHFFFAOYSA-N |
Product Overview
Retrojusticidin B (CAS 82001-16-9), with molecular formula C21H16O6 and molecular weight 364.09 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3H-benzo[f][2]benzofuran-1-one.
Chemical Property Profile of Retrojusticidin B
Property Insights of Retrojusticidin B
The XLogP value of 4.0 indicates that Retrojusticidin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Retrojusticidin B. Following Lipinski's Rule of Five, Retrojusticidin B has 0 hydrogen bond donor(s) and 6 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 Retrojusticidin B?
The CAS number of Retrojusticidin B is 82001-16-9.
What is the molecular formula of Retrojusticidin B?
The molecular formula of Retrojusticidin B is C21H16O6.
What is the molecular weight of Retrojusticidin B?
The molecular weight of Retrojusticidin B is 364.09 g/mol.
Where can I buy Retrojusticidin B?
You can request a quote for Retrojusticidin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Retrojusticidin B?
Yes, KEHONG BIO provides custom synthesis services for Retrojusticidin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.