Bencianol
TL;DR: Bencianol (CAS 85443-48-7) is a chemical compound with molecular formula C28H22O6 and molecular weight 454.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S)-2-(2,2-diphenyl-1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromene-3,5,7-triol
Also Known As: Bencianol, Bencianolum, Bencianol [INN], Bencianolum [Latin], (2R,3S)-2-(2,2-diphenyl-1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromene-3,5,7-triol
| Molecular Formula | C28H22O6 |
|---|---|
| Molecular Weight | 454.14 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 88.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 454.14163 |
| Heavy Atoms | 34 |
| Complexity | 670.0 |
Chemical Identifiers
| CAS Number | 85443-48-7 |
|---|---|
| SMILES | C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC4=C(C=C3)OC(O4)(C5=CC=CC=C5)C6=CC=CC=C6)O |
| InChIKey | NGJOOUAZHCZCOW-WNCULLNHSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bencianol (CAS 85443-48-7), with molecular formula C28H22O6 and molecular weight 454.14 g/mol. IUPAC: (2R,3S)-2-(2,2-diphenyl-1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromene-3,5,7-triol.
Chemical Property Profile of Bencianol
Property Insights of Bencianol
The XLogP value of 3.9 indicates that Bencianol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Bencianol. Following Lipinski's Rule of Five, Bencianol has 3 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 Bencianol?
The CAS number of Bencianol is 85443-48-7.
What is the molecular formula of Bencianol?
The molecular formula of Bencianol is C28H22O6.
What is the molecular weight of Bencianol?
The molecular weight of Bencianol is 454.14 g/mol.
Where can I buy Bencianol?
You can request a quote for Bencianol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bencianol?
Yes, KEHONG BIO provides custom synthesis services for Bencianol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.