CAS RN: 5988-76-1
Cucurbitacin C
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260514 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS5988-76-1
- Purity/Analytical Methods: >99.0%
5988-76-1 / [(6R)-6-[(3S,8S,9R,10R,13R,14S,16R,17R)-3,16-dihydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate
Basic Information
CAS
5988-76-1
Multi CAS
Yes
Molecular Formula
C32H48O8
Molecular Weight
560.700000
Exact Mass
560.334918
InChI
InChI=1S/C32H48O8/c1-18(34)40-27(2,3)14-13-24(37)31(8,39)26-21(35)15-29(6)22-11-9-19-20(10-12-23(36)28(19,4)5)32(22,17-33)25(38)16-30(26,29)7/h9,13-14,20-23,26,33,35-36,39H,10-12,15-17H2,1-8H3/b14-13+/t20-,21-,22+,23+,26+,29+,30-,31+,32+/m1/s1
InChIKey
DGIGXLXLGBAJJN-TUOUHCSQSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Fraction Csp3
0.78
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
4
Molar refractivity
148.79
TPSA
141.36
LogP / Solubility
WLOGP
3.29
MLOGP
2.94
XLogP3
2.8
Consensus LogP
3.01
Log S (ESOL)
-4.99
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.54
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.76
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)
-3.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9
