CAS RN: 63976-69-2
13-OXOPODOCARP-8(14)-EN-18-OICACID
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.20260118 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS63976-69-2
- Purity/Analytical Methods: >99.0%
63976-69-2 / 1,4a-dimethyl-7-oxo-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
Basic Information
CAS
63976-69-2
Multi CAS
Yes
Molecular Formula
C17H24O3
Molecular Weight
276.400000
Exact Mass
276.172545
InChI
InChI=1S/C17H24O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-4-11-10-12(18)5-6-13(11)16/h10,13-14H,3-9H2,1-2H3,(H,19,20)
InChIKey
DXXGHDAWCPTRPU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.76
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
76.24
TPSA
54.37
LogP / Solubility
WLOGP
3.58
MLOGP
3.16
XLogP3
2.8
Consensus LogP
3.18
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.55
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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