Cleistanthin A
TL;DR: Cleistanthin A (CAS 25501-35-3) is a chemical compound with molecular formula C28H28O11 and molecular weight 540.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(1,3-benzodioxol-4-yl)-4-(3-hydroxy-4,5-dimethoxyoxan-2-yl)oxy-6,7-dimethoxy-3H-benzo[f][2]benzofuran-1-one
Also Known As: Cleistanthin A, Cleistanthin, Sheng bai xin [Chinese], Ciba Go. 4350, Diphyllin 3,4-O-dimethyl xyloside
| Molecular Formula | C28H28O11 |
|---|---|
| Molecular Weight | 540.16 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 540.16315 |
| Heavy Atoms | 39 |
| Complexity | 857.0 |
Chemical Identifiers
| CAS Number | 25501-35-3 |
|---|---|
| SMILES | COC1COC(C(C1OC)O)OC2=C3COC(=O)C3=C(C4=CC(=C(C=C42)OC)OC)C5=C6C(=CC=C5)OCO6 |
| InChIKey | CCCPNPNPONEQTR-UHFFFAOYSA-N |
Product Overview
Cleistanthin A (CAS 25501-35-3), with molecular formula C28H28O11 and molecular weight 540.16 g/mol. IUPAC: 9-(1,3-benzodioxol-4-yl)-4-(3-hydroxy-4,5-dimethoxyoxan-2-yl)oxy-6,7-dimethoxy-3H-benzo[f][2]benzofuran-1-one.
Chemical Property Profile of Cleistanthin A
Property Insights of Cleistanthin A
The XLogP value of 3.0 indicates that Cleistanthin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cleistanthin A. Following Lipinski's Rule of Five, Cleistanthin A has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cleistanthin A?
The CAS number of Cleistanthin A is 25501-35-3.
What is the molecular formula of Cleistanthin A?
The molecular formula of Cleistanthin A is C28H28O11.
What is the molecular weight of Cleistanthin A?
The molecular weight of Cleistanthin A is 540.16 g/mol.
Where can I buy Cleistanthin A?
You can request a quote for Cleistanthin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cleistanthin A?
Yes, KEHONG BIO provides custom synthesis services for Cleistanthin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.