CAS RN: 516-72-3
20ALPHA-HYDROXYCHOLESTEROL
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260115 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260405 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260417 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260518 | 250mg | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20251111 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250206 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250614 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS516-72-3
- Purity/Analytical Methods: >99.0%
516-72-3 / (3S,8S,9S,10R,13S,14S,17S)-17-[(2S)-2-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Basic Information
CAS
516-72-3
Multi CAS
Yes
Molecular Formula
C27H46O2
Molecular Weight
402.700000
Exact Mass
402.349781
InChI
InChI=1S/C27H46O2/c1-18(2)7-6-14-27(5,29)24-11-10-22-21-9-8-19-17-20(28)12-15-25(19,3)23(21)13-16-26(22,24)4/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t20-,21-,22-,23-,24-,25-,26-,27-/m0/s1
InChIKey
MCKLJFJEQRYRQT-APGJSSKUSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Fraction Csp3
0.93
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
120.51
TPSA
40.46
LogP / Solubility
WLOGP
6.5
MLOGP
5.75
XLogP3
6.9
Consensus LogP
6.38
Log S (ESOL)
-6.1
Class (ESOL)
Insoluble
Log S (Ali)
-7.56
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.28
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7
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![CAS 516-90-5 2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/516-90-5.gif)
