CAS RN: 3039-71-2
U 18666A
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250112 | 5mg / 10mg / 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS3039-71-2
- Purity/Analytical Methods: >99.0%
3039-71-2 / 2-[2-(diethylamino)ethoxy]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one;hydrochloride
Basic Information
CAS
3039-71-2
Multi CAS
Yes
Molecular Formula
C25H42CLNO2
Molecular Weight
424.100000
Exact Mass
423.290407
InChI
InChI=1S/C25H41NO2.ClH/c1-5-26(6-2)15-16-28-19-11-13-24(3)18(17-19)7-8-20-21-9-10-23(27)25(21,4)14-12-22(20)24;/h7,19-22H,5-6,8-17H2,1-4H3;1H/t19-,20-,21-,22-,24-,25-;/m0./s1
InChIKey
GZFYZYBWLCYBMI-MYZJJQSMSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Fraction Csp3
0.88
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
121.49
TPSA
29.54
LogP / Solubility
WLOGP
5.67
MLOGP
5.01
XLogP3
5.67
Consensus LogP
5.45
Log S (ESOL)
-5.64
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.84
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-1.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
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