CAS RN: 942142-81-6
Methyl 2-((R)-(3-chlorophenyl)((R)-piperidin-3-yl)Methoxy)ethylcarbaMate (2,2,2-trifluoroacetate)
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250113 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS942142-81-6
- Purity/Analytical Methods: >99.0%
942142-81-6 / methyl N-[2-[(R)-(3-chlorophenyl)-[(3R)-piperidin-3-yl]methoxy]ethyl]carbamate;2,2,2-trifluoroacetic acid
Basic Information
CAS
942142-81-6
Multi CAS
Yes
Molecular Formula
C18H24CLF3N2O5
Molecular Weight
440.800000
Exact Mass
440.132584
InChI
InChI=1S/C16H23ClN2O3.C2HF3O2/c1-21-16(20)19-8-9-22-15(13-5-3-7-18-11-13)12-4-2-6-14(17)10-12;3-2(4,5)1(6)7/h2,4,6,10,13,15,18H,3,5,7-9,11H2,1H3,(H,19,20);(H,6,7)/t13-,15+;/m1./s1
InChIKey
QVECGAGRNXWTGM-PBCQUBLHSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
3
Molar refractivity
99.84
TPSA
96.89
LogP / Solubility
WLOGP
3.39
MLOGP
3.01
XLogP3
3.39
Consensus LogP
3.26
Log S (ESOL)
-4.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.06
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)
-3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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