Justicidin D
TL;DR: Justicidin D (CAS 27041-98-1) is a chemical compound with molecular formula C21H14O7 and molecular weight 378.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(1,3-benzodioxol-5-yl)-5-methoxy-8H-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one
Also Known As: Justicidin D, Neojusticin, Lignan J1, Justicidine D, NEOJUSTICIN A
| Molecular Formula | C21H14O7 |
|---|---|
| Molecular Weight | 378.07 g/mol |
| LogP | 3.6432 |
| Topological Polar Surface Area | 72.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 378.07394 |
| Heavy Atoms | 28 |
| Complexity | 1181.5681 |
Chemical Identifiers
| CAS Number | 27041-98-1 |
|---|---|
| SMILES | COC1=C2C(=C(C3=CC4=C(C=C31)OCO4)C5=CC6=C(C=C5)OCO6)COC2=O |
Product Overview
Justicidin D (CAS 27041-98-1), with molecular formula C21H14O7 and molecular weight 378.07 g/mol. IUPAC: 9-(1,3-benzodioxol-5-yl)-5-methoxy-8H-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one.
Chemical Property Profile of Justicidin D
Property Insights of Justicidin D
The XLogP value of 3.6432 indicates that Justicidin D is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.45 Ų falls within the moderate polarity range, balancing permeability and solubility for Justicidin D. Following Lipinski's Rule of Five, Justicidin D has 0 hydrogen bond donor(s) and 7 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 Justicidin D?
The CAS number of Justicidin D is 27041-98-1.
What is the molecular formula of Justicidin D?
The molecular formula of Justicidin D is C21H14O7.
What is the molecular weight of Justicidin D?
The molecular weight of Justicidin D is 378.07 g/mol.
Where can I buy Justicidin D?
You can request a quote for Justicidin D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Justicidin D?
Yes, KEHONG BIO provides custom synthesis services for Justicidin D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.