CAS RN: 2062685-10-1
16,25-Di-O-acetylcucurbitacin F
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.20251122 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS2062685-10-1
- Purity/Analytical Methods: >99.0%
2062685-10-1 / [(2S,3S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-6-acetyloxy-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,3-dihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl] acetate
Basic Information
CAS
2062685-10-1
Multi CAS
No
Molecular Formula
C34H50O9
Molecular Weight
602.800000
Exact Mass
602.345483
SMILES
CC(=O)O[C@@H]1C[C@]2([C@@H]3CC=C4[C@H]([C@@]3(C(=O)C[C@@]2([C@H]1[C@](C)(C(=O)/C=C/C(C)(C)OC(=O)C)O)C)C)C[C@@H]([C@H](C4(C)C)O)O)C
InChI
InChI=1S/C34H50O9/c1-18(35)42-23-16-31(7)24-12-11-20-21(15-22(37)28(40)30(20,5)6)33(24,9)26(39)17-32(31,8)27(23)34(10,41)25(38)13-14-29(3,4)43-19(2)36/h11,13-14,21-24,27-28,37,40-41H,12,15-17H2,1-10H3/b14-13+/t21-,22+,23-,24+,27+,28-,31+,32-,33+,34+/m1/s1
InChIKey
FQLRNWNAMWVQJN-IIBWBUBLSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Fraction Csp3
0.76
Rotatable bonds
6
H-bond acceptors
9
H-bond donors
3
Molar refractivity
158.31
TPSA
147.43
LogP / Solubility
WLOGP
3.86
MLOGP
3.45
XLogP3
2.5
Consensus LogP
3.27
Log S (ESOL)
-5.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.29
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.5
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)
-3.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9.5
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