CAS RN: 68252-19-7
Pirmenol
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.20251121 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS68252-19-7
- Purity/Analytical Methods: >99.0%
68252-19-7 / 4-(2,6-dimethylpiperidin-1-yl)-1-phenyl-1-pyridin-2-ylbutan-1-ol
Basic Information
CAS
68252-19-7
Multi CAS
Yes
Molecular Formula
C22H30N2O
Molecular Weight
338.500000
Exact Mass
338.235814
InChI
InChI=1S/C22H30N2O/c1-18-10-8-11-19(2)24(18)17-9-15-22(25,20-12-4-3-5-13-20)21-14-6-7-16-23-21/h3-7,12-14,16,18-19,25H,8-11,15,17H2,1-2H3/t18-,19+,22?
InChIKey
APUDBKTWDCXQJA-QIDMFYOTSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
102.39
TPSA
36.36
LogP / Solubility
WLOGP
4.36
MLOGP
3.85
XLogP3
4
Consensus LogP
4.07
Log S (ESOL)
-4.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.2
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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![CAS 68255-58-3 1-[4-(TRIFLUOROMETHOXY)PHENYL]-1H-PYRROLE-2,5-DIONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/68255-58-3.gif)
