Tabebuin
TL;DR: Tabebuin (CAS 20180-91-0) is a chemical compound with molecular formula C31H26O5 and molecular weight 478.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-methoxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-4-yl)oxy]-3-methylanthracene-9,10-dione
Also Known As: Tabebuin, (+)-Tabebuin, (+)-2-[[3,4-Dihydro-6-methoxy-2,2-dimethyl-2H-naphtho[1,2-b]pyran-4-yl]oxy]-3-methyl-9,10-anthracenedione, -2-[[3,4-Dihydro-6-methoxy-2,2-dimethyl-2H-naphtho[1,2-b]pyran-4-yl]oxy]-3-methyl-9,10-anthracenedione, 2-({6-methoxy-2,2-dimethyl-2H,3H,4H-naphtho[1,2-b]pyran-4-yl}oxy)-3-methyl-9,10-dihydroanthracene-9,10-dione
| Molecular Formula | C31H26O5 |
|---|---|
| Molecular Weight | 478.18 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 478.178 |
| Heavy Atoms | 36 |
| Complexity | 852.0 |
Chemical Identifiers
| CAS Number | 20180-91-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1OC3CC(OC4=C3C=C(C5=CC=CC=C54)OC)(C)C)C(=O)C6=CC=CC=C6C2=O |
| InChIKey | ZRNIDRKZGMBYBW-UHFFFAOYSA-N |
Product Overview
Tabebuin (CAS 20180-91-0), with molecular formula C31H26O5 and molecular weight 478.18 g/mol. IUPAC: 2-[(6-methoxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-4-yl)oxy]-3-methylanthracene-9,10-dione.
Chemical Property Profile of Tabebuin
Property Insights of Tabebuin
The XLogP value of 6.7 indicates that Tabebuin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Tabebuin. Following Lipinski's Rule of Five, Tabebuin has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tabebuin?
The CAS number of Tabebuin is 20180-91-0.
What is the molecular formula of Tabebuin?
The molecular formula of Tabebuin is C31H26O5.
What is the molecular weight of Tabebuin?
The molecular weight of Tabebuin is 478.18 g/mol.
Where can I buy Tabebuin?
You can request a quote for Tabebuin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tabebuin?
Yes, KEHONG BIO provides custom synthesis services for Tabebuin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.