CAS RN: 212132-38-2
1-(1-(4-(CHLOROMETHYL)PHENYL)ETHOXY)-2,2,6,6-TETRAMETHYLPIPERIDINE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260622 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS212132-38-2
- Purity/Analytical Methods: >99.0%
212132-38-2 / 1-[1-[4-(chloromethyl)phenyl]ethoxy]-2,2,6,6-tetramethylpiperidine
Basic Information
CAS
212132-38-2
Multi CAS
No
Molecular Formula
C18H28ClNO
Molecular Weight
309.900000
Exact Mass
309.185942
SMILES
CC(C1=CC=C(C=C1)CCl)ON2C(CCCC2(C)C)(C)C
InChI
InChI=1S/C18H28ClNO/c1-14(16-9-7-15(13-19)8-10-16)21-20-17(2,3)11-6-12-18(20,4)5/h7-10,14H,6,11-13H2,1-5H3
InChIKey
SQIBFIFOLCKDOG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
89.35
TPSA
12.47
LogP / Solubility
WLOGP
5.46
MLOGP
4.82
XLogP3
4.7
Consensus LogP
4.99
Log S (ESOL)
-5.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.69
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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