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CAS 883106-62-5 4-(4-AMINO-PHENYLCARBAMOYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER molecular structure lightbox
CAS RN: 883106-62-5

4-(4-AMINO-PHENYLCARBAMOYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

  • Product code: SSC-198875
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 883106-62-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Shanghai Inquiry
0.25g ≥95% 5 In Stock Hong Kong Inquiry
1g ≥95% 5 In Stock Shanghai Inquiry
5g ≥95% 5 In Stock Beijing Inquiry

883106-62-5 / tert-butyl 4-[(4-aminophenyl)carbamoyl]piperidine-1-carboxylate

Standard CAS: 883106-62-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
883106-62-5
Multi CAS
No
Molecular Formula
C17H25N3O3
Molecular Weight
319.400000
Exact Mass
319.189592
InChI
InChI=1S/C17H25N3O3/c1-17(2,3)23-16(22)20-10-8-12(9-11-20)15(21)19-14-6-4-13(18)5-7-14/h4-7,12H,8-11,18H2,1-3H3,(H,19,21)
InChIKey
CVZRYFVBLAKZHQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
90.02
TPSA
84.66

LogP / Solubility

WLOGP
2.85
MLOGP
2.53
XLogP3
1.8
Consensus LogP
2.39
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.35
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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