CAS RN: 6199-67-3
Cucurbitacin B
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250413 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260302 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250724 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250427 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250906 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20251123 | 5g | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250423 | 5mg / 10mg / 25mg / 100mg | Confirm by inquiry | Shanghai, Shandong, Chongqing | Inquiry |
- Product code: ICTC3442
- Purity/Analytical Methods: >98.0%(HPLC)
6199-67-3 / [6-(2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate
Basic Information
CAS
6199-67-3
Multi CAS
Yes
Molecular Formula
C32H46O8
Molecular Weight
558.700000
Exact Mass
558.319268
InChI
InChI=1S/C32H46O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-13,19-22,25,34-35,39H,11,14-16H2,1-9H3
InChIKey
IXQKXEUSCPEQRD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Fraction Csp3
0.75
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
3
Molar refractivity
147.77
TPSA
138.2
LogP / Solubility
WLOGP
3.5
MLOGP
3.12
XLogP3
2.6
Consensus LogP
3.07
Log S (ESOL)
-5.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.67
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.8
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9
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