![CAS 942142-74-7 1-Piperidinecarboxylic acid, 3-[(R)-(3-chlorophenyl)hydroxyMethyl]-, 1,1-diMethylethyl ester, (3R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/942142-74-7.gif)
CAS RN: 942142-74-7
1-Piperidinecarboxylic acid, 3-[(R)-(3-chlorophenyl)hydroxyMethyl]-, 1,1-diMethylethyl ester, (3R)-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250802 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS942142-74-7
- Purity/Analytical Methods: >99.0%
942142-74-7 / tert-butyl (3R)-3-[(R)-(3-chlorophenyl)-hydroxymethyl]piperidine-1-carboxylate
Basic Information
CAS
942142-74-7
Multi CAS
Yes
Molecular Formula
C17H24CLNO3
Molecular Weight
325.800000
Exact Mass
325.144471
InChI
InChI=1S/C17H24ClNO3/c1-17(2,3)22-16(21)19-9-5-7-13(11-19)15(20)12-6-4-8-14(18)10-12/h4,6,8,10,13,15,20H,5,7,9,11H2,1-3H3/t13-,15+/m1/s1
InChIKey
ADRSZIQSSXPARX-HIFRSBDPSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
86.94
TPSA
49.77
LogP / Solubility
WLOGP
4.02
MLOGP
3.55
XLogP3
3.3
Consensus LogP
3.62
Log S (ESOL)
-4.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.35
Class (SILICOS-IT)
Slightly soluble
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)
-1.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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