CAS RN: 138847-85-5
PRE-084
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250412 | 10mg / 50mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS138847-85-5
- Purity/Analytical Methods: >99.0%
138847-85-5 / 2-morpholin-4-ylethyl 1-phenylcyclohexane-1-carboxylate
Basic Information
CAS
138847-85-5
Multi CAS
No
Molecular Formula
C19H27NO3
Molecular Weight
317.400000
Exact Mass
317.199094
SMILES
C1CCC(CC1)(C2=CC=CC=C2)C(=O)OCCN3CCOCC3
InChI
InChI=1S/C19H27NO3/c21-18(23-16-13-20-11-14-22-15-12-20)19(9-5-2-6-10-19)17-7-3-1-4-8-17/h1,3-4,7-8H,2,5-6,9-16H2
InChIKey
RQHKZUBCUZVZEF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.63
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
89.42
TPSA
38.77
LogP / Solubility
WLOGP
2.76
MLOGP
2.45
XLogP3
3.3
Consensus LogP
2.84
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.62
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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![CAS 138871-56-4 (2S)-2-[[[(1,1-DIMETHYLETHYL)DIPHENYLSILYL]OXY]METHYL]-5-OXO-1-PYRROLIDINECARBOXYLATE-1,1-DIMETHYLETHYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/138871-56-4.gif)
