CAS RN: 1246302-83-9
6α-hydroxy-5α-cholestane-d7
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.20250516 | 1mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1246302-83-9
- Purity/Analytical Methods: >99.0%
1246302-83-9 / (3S,5S,6S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol
Basic Information
CAS
1246302-83-9
Multi CAS
No
Molecular Formula
C27H48O2
Molecular Weight
411.700000
Exact Mass
411.409368
SMILES
[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4)O)C)O)C)C([2H])([2H])[2H]
InChI
InChI=1S/C27H48O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-25,28-29H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,25+,26-,27-/m1/s1/i1D3,2D3,17D
InChIKey
PMWTYEQRXYIMND-DNWVLYPESA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
120.47
TPSA
40.46
LogP / Solubility
WLOGP
6.44
MLOGP
5.69
XLogP3
8
Consensus LogP
6.71
Log S (ESOL)
-6.08
Class (ESOL)
Insoluble
Log S (Ali)
-7.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.24
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)
-0.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8
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![CAS 1246303-14-9 (1R,2R)-N-([S]-1-{4-[5-broMo-2-oxo-2,3-dihydro-1H-benzo(d)iMidazol-1-yl]piperidin-1-yl}propan-2-yl)-2-phenylcyclopropanecarboxaMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1246303-14-9.gif)
