![CAS 50909-89-2 4-PREGNENE-3,20-DIONE 3-[O-CARBOXYMETHYL]OXIME molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/50909-89-2.gif)
CAS RN: 50909-89-2
4-PREGNENE-3,20-DIONE 3-[O-CARBOXYMETHYL]OXIME
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250407 | 5mg / 25mg / 100mg | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS50909-89-2
- Purity/Analytical Methods: >99.0%
50909-89-2 / 2-[(17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene)amino]oxyacetic acid
Basic Information
CAS
50909-89-2
Multi CAS
Yes
Molecular Formula
C23H33NO4
Molecular Weight
387.500000
Exact Mass
387.240959
InChI
InChI=1S/C23H33NO4/c1-14(25)18-6-7-19-17-5-4-15-12-16(24-28-13-21(26)27)8-10-22(15,2)20(17)9-11-23(18,19)3/h12,17-20H,4-11,13H2,1-3H3,(H,26,27)
InChIKey
PPELYUTTZHLIAZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Fraction Csp3
0.78
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
106.9
TPSA
75.96
LogP / Solubility
WLOGP
4.61
MLOGP
4.08
XLogP3
4
Consensus LogP
4.23
Log S (ESOL)
-4.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.49
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
