CAS RN: 269742-39-4
16-Acetoxy-7-O-acetylhormine
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.20260109 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS269742-39-4
- Purity/Analytical Methods: >99.0%
269742-39-4 / 2-(10-acetyloxy-1-hydroxy-4b,8,8-trimethyl-3,4-dioxo-5,6,7,8a,9,10-hexahydrophenanthren-2-yl)propyl acetate
Basic Information
CAS
269742-39-4
Multi CAS
No
Molecular Formula
C24H32O7
Molecular Weight
432.500000
Exact Mass
432.214803
SMILES
CC(COC(=O)C)C1=C(C2=C(C(=O)C1=O)C3(CCCC(C3CC2OC(=O)C)(C)C)C)O
InChI
InChI=1S/C24H32O7/c1-12(11-30-13(2)25)17-20(27)18-15(31-14(3)26)10-16-23(4,5)8-7-9-24(16,6)19(18)22(29)21(17)28/h12,15-16,27H,7-11H2,1-6H3
InChIKey
DPCAYMPTUWTOLE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
1
Molar refractivity
111.89
TPSA
106.97
LogP / Solubility
WLOGP
3.61
MLOGP
3.21
XLogP3
3.1
Consensus LogP
3.31
Log S (ESOL)
-4.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.95
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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