Dehydrotoxicarol
TL;DR: Dehydrotoxicarol (CAS 59086-93-0) is a chemical compound with molecular formula C23H20O7 and molecular weight 408.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-hydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4(9),5,10,15,17,19-octaen-13-one
Also Known As: Dehydrotoxicarol, 7a,13a-Didehydrotoxicarol, 6a,12a-Dehydrotoxicarol, 6a,12a-Dehydro-, A-toxicarol
| Molecular Formula | C23H20O7 |
|---|---|
| Molecular Weight | 408.12 g/mol |
| LogP | 4.2594 |
| Topological Polar Surface Area | 87.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 408.1209 |
| Heavy Atoms | 30 |
| Complexity | 1297.6202 |
Chemical Identifiers
| CAS Number | 59086-93-0 |
|---|---|
| SMILES | CC1(C=CC2=C(O1)C=C(C3=C2OC4=C(C3=O)C5=CC(=C(C=C5OC4)OC)OC)O)C |
Product Overview
Dehydrotoxicarol (CAS 59086-93-0), with molecular formula C23H20O7 and molecular weight 408.12 g/mol. IUPAC: 11-hydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4(9),5,10,15,17,19-octaen-13-one.
Chemical Property Profile of Dehydrotoxicarol
Property Insights of Dehydrotoxicarol
The XLogP value of 4.2594 indicates that Dehydrotoxicarol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Dehydrotoxicarol. Following Lipinski's Rule of Five, Dehydrotoxicarol has 1 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 Dehydrotoxicarol?
The CAS number of Dehydrotoxicarol is 59086-93-0.
What is the molecular formula of Dehydrotoxicarol?
The molecular formula of Dehydrotoxicarol is C23H20O7.
What is the molecular weight of Dehydrotoxicarol?
The molecular weight of Dehydrotoxicarol is 408.12 g/mol.
Where can I buy Dehydrotoxicarol?
You can request a quote for Dehydrotoxicarol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dehydrotoxicarol?
Yes, KEHONG BIO provides custom synthesis services for Dehydrotoxicarol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.