CAS RN: 143032-85-3
1alpha-Hydroxy VD4
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251110 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS143032-85-3
- Purity/Analytical Methods: >99.0%
143032-85-3 / trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-5,6-dimethylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Basic Information
CAS
143032-85-3
Multi CAS
No
Molecular Formula
C28H46O2
Molecular Weight
414.700000
Exact Mass
414.349781
SMILES
C[C@H](CC[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C
InChI
InChI=1S/C28H46O2/c1-18(2)19(3)9-10-20(4)25-13-14-26-22(8-7-15-28(25,26)6)11-12-23-16-24(29)17-27(30)21(23)5/h11-12,18-20,24-27,29-30H,5,7-10,13-17H2,1-4,6H3/b22-11+,23-12-/t19-,20+,24+,25+,26-,27-,28+/m0/s1
InChIKey
NEETXMRNUNEBRH-GOTXBORWSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Fraction Csp3
0.79
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
127.13
TPSA
40.46
LogP / Solubility
WLOGP
6.84
MLOGP
6.04
XLogP3
7.1
Consensus LogP
6.66
Log S (ESOL)
-6.32
Class (ESOL)
Insoluble
Log S (Ali)
-7.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.75
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)
-0.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6
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![CAS 143060-53-1 5′-O-(4,4′-DIMETHOXYTRITYL)-N2-ISOBUTYRYL-8-OXO-2′-DEOXYGUANOSINE, 3′-[(2-CYANOETHYL)-(N,N-DIISOPROPYL)]PHOSPHORAMIDITE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/143060-53-1.gif)