Deguelin
TL;DR: Deguelin (CAS 1211-63-8) is a chemical compound with molecular formula C23H22O6 and molecular weight 394.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,14R)-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-one
Also Known As: Deguelin, J1.966.282I, rel-(7aR,13aR)-9,10-Dimethoxy-3,3-dimethyl-13,13a-dihydro-3H-pyrano[2,3-c:6,5-f']dichromen-7(7aH)-one, 3h-bis(1)benzopyrano(3,4-b:6',5'-e)pyran-7(7ah)-one, 13,13a-dihydro-9,10-dimethoxy-3,3-dimethyl-,(7ar-cis)-, (1R,14R)-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15(20),16,18-heptaen-13-one
| Molecular Formula | C23H22O6 |
|---|---|
| Molecular Weight | 394.14 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 394.14163 |
| Heavy Atoms | 29 |
| Complexity | 674.0 |
Chemical Identifiers
| CAS Number | 1211-63-8 |
|---|---|
| SMILES | CC1(C=CC2=C(O1)C=CC3=C2O[C@H]4COC5=CC(=C(C=C5[C@H]4C3=O)OC)OC)C |
| InChIKey | ORDAZKGHSNRHTD-VQTJNVASSA-N |
Product Overview
Deguelin (CAS 1211-63-8), with molecular formula C23H22O6 and molecular weight 394.14 g/mol. IUPAC: (1R,14R)-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-one.
Chemical Property Profile of Deguelin
Property Insights of Deguelin
The XLogP value of 3.7 indicates that Deguelin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Deguelin. Following Lipinski's Rule of Five, Deguelin has 0 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 Deguelin?
The CAS number of Deguelin is 1211-63-8.
What is the molecular formula of Deguelin?
The molecular formula of Deguelin is C23H22O6.
What is the molecular weight of Deguelin?
The molecular weight of Deguelin is 394.14 g/mol.
Where can I buy Deguelin?
You can request a quote for Deguelin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deguelin?
Yes, KEHONG BIO provides custom synthesis services for Deguelin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.