CAS RN: 170284-71-6
N-BOC-4-(4′-CHLORO) BENZYL-4-PIPERIDINE CARBOXYLIC ACID
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.20260329 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS170284-71-6
- Purity/Analytical Methods: >99.0%
170284-71-6 / 4-[(4-chlorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
Basic Information
CAS
170284-71-6
Multi CAS
No
Molecular Formula
C18H24ClNO4
Molecular Weight
353.800000
Exact Mass
353.139386
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(CC2=CC=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C18H24ClNO4/c1-17(2,3)24-16(23)20-10-8-18(9-11-20,15(21)22)12-13-4-6-14(19)7-5-13/h4-7H,8-12H2,1-3H3,(H,21,22)
InChIKey
MRYZLPQGWRXSTE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
92.27
TPSA
66.84
LogP / Solubility
WLOGP
3.98
MLOGP
3.52
XLogP3
3.5
Consensus LogP
3.67
Log S (ESOL)
-4.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.63
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
Yes
Log Kp (skin permeation)
-2.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
TERT-BUTYL TRANS-(2-HYDROXYMETHYL)CYCLOPROPYLCARBAMATE
- CAS RN: 170299-53-3
- Product Code: SSC-074902
-
cis-cyclopropanecarboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester
- CAS RN: 170299-60-2
- Product Code: SSC-074903
-
TERT-BUTYL CIS-(2-HYDROXYMETHYL)CYCLOPROPYLCARBAMATE
- CAS RN: 170299-61-3
- Product Code: SSC-074904
-
3-Piperidinemethanol, 1-acetyl- (9CI)
- CAS RN: 170302-87-1
- Product Code: starshine_CAS170302-87-1
- Purity/Analytical method: >99.0%
-
-
![CAS 170299-60-2 cis-cyclopropanecarboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/170299-60-2.gif)
