CAS RN: 885012-33-9
trans-ACUB
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250605 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS885012-33-9
- Purity/Analytical Methods: >99.0%
885012-33-9 / 4-[4-(1-adamantylcarbamoylamino)cyclohexyl]oxybenzoic acid
Basic Information
CAS
885012-33-9
Multi CAS
No
Molecular Formula
C24H32N2O4
Molecular Weight
412.500000
Exact Mass
412.236208
InChI
InChI=1S/C24H32N2O4/c27-22(28)18-1-5-20(6-2-18)30-21-7-3-19(4-8-21)25-23(29)26-24-12-15-9-16(13-24)11-17(10-15)14-24/h1-2,5-6,15-17,19,21H,3-4,7-14H2,(H,27,28)(H2,25,26,29)
InChIKey
KNBWKJBQDAQARU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
112.64
TPSA
87.66
LogP / Solubility
WLOGP
4.34
MLOGP
3.85
XLogP3
4.6
Consensus LogP
4.26
Log S (ESOL)
-4.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.55
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8
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![CAS 885031-86-7 Spiro[piperidine-4,3′-[3H]pyrrolo[2,3-b]pyridine]-1-carboxylic acid, 1′,2′-dihydro-2′-oxo-, 1,1-diMethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/885031-86-7.gif)
