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CAS 1419223-39-4 Cis-1-((Benzyloxy)Carbonyl)-6-(Trifluoromethyl)Piperidine-3-Carboxylic Acid molecular structure lightbox
CAS RN: 1419223-39-4

Cis-1-((Benzyloxy)Carbonyl)-6-(Trifluoromethyl)Piperidine-3-Carboxylic Acid

  • Product code: SSC-052626
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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
  • Available purity: >95%
  • Inventory rows with stock: 2
  • 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 1419223-39-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

1419223-39-4 / (3R,6R)-1-phenylmethoxycarbonyl-6-(trifluoromethyl)piperidine-3-carboxylic acid

Standard CAS: 1419223-39-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1419223-39-4
Multi CAS
No
Molecular Formula
C15H16F3NO4
Molecular Weight
331.290000
Exact Mass
331.103142
SMILES
C1C[C@@H](N(C[C@@H]1C(=O)O)C(=O)OCC2=CC=CC=C2)C(F)(F)F
InChI
InChI=1S/C15H16F3NO4/c16-15(17,18)12-7-6-11(13(20)21)8-19(12)14(22)23-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,20,21)/t11-,12-/m1/s1
InChIKey
ZCRHDDGIVRGRQG-VXGBXAGGSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
73.54
TPSA
66.84

LogP / Solubility

WLOGP
3.05
MLOGP
2.7
XLogP3
2.8
Consensus LogP
2.85
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.71
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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