CAS RN: 522-17-8
(-)-Deguelin
Product Availability
Choose a grade to view its available package options.
14 package records13 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260215 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250823 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251008 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260513 | 250mg | Out of stock | Inquiry | |
| Batchno.20250206 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250621 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260422 | 5mg | In stock | Shanghai | Inquiry |
- Product code: ICTD5646
- Purity/Analytical Methods: >95.0%(HPLC)
522-17-8 / (1S,14S)-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
Basic Information
CAS
522-17-8
Multi CAS
Yes
Molecular Formula
C23H22O6
Molecular Weight
394.400000
Exact Mass
394.141638
InChI
InChI=1S/C23H22O6/c1-23(2)8-7-12-15(29-23)6-5-13-21(24)20-14-9-17(25-3)18(26-4)10-16(14)27-11-19(20)28-22(12)13/h5-10,19-20H,11H2,1-4H3/t19-,20+/m1/s1
InChIKey
ORDAZKGHSNRHTD-UXHICEINSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
106.71
TPSA
63.22
LogP / Solubility
WLOGP
4.01
MLOGP
3.55
XLogP3
3.7
Consensus LogP
3.75
Log S (ESOL)
-4.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.79
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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