CAS RN: 73809-05-9
3-EPI-25-HYDROXYVITAMIN D3
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250118 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS73809-05-9
- Purity/Analytical Methods: >99.0%
73809-05-9 / 3-[2-[1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
Basic Information
CAS
73809-05-9
Multi CAS
Yes
Molecular Formula
C27H44O2
Molecular Weight
400.600000
Exact Mass
400.334131
InChI
InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3
InChIKey
JWUBBDSIWDLEOM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Fraction Csp3
0.78
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
122.65
TPSA
40.46
LogP / Solubility
WLOGP
6.73
MLOGP
5.95
XLogP3
6.2
Consensus LogP
6.29
Log S (ESOL)
-6.17
Class (ESOL)
Insoluble
Log S (Ali)
-7.71
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.57
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)
-0.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
Customers Also Viewed
-
Orientin 2”-O-p-trans-couMarate
- CAS RN: 73815-15-3
- Product Code: starshine_CAS73815-15-3
- Purity/Analytical method: >99.0%
-
2,6-Dimethyl-7-octene-2,3,6-triol
- CAS RN: 73815-21-1
- Product Code: starshine_CAS73815-21-1
- Purity/Analytical method: >99.0%
-
-
4-{N-Ethyl-N-[4-(N-phthalimido)butyl]amino}-N-methylphthalim
- CAS RN: 73819-87-1
- Product Code: starshine_CAS73819-87-1
- Purity/Analytical method: >99.0%
-
2,2′-(2-Hydroxypropane-1,3-diyl)bis(2H-isoindole-1,3-dione)
- CAS RN: 73825-95-3
- Product Code: starshine_CAS73825-95-3
- Purity/Analytical method: >99.0%
-
![CAS 73819-87-1 4-{N-Ethyl-N-[4-(N-phthalimido)butyl]amino}-N-methylphthalim molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/73819-87-1.gif)
