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CAS 1255099-09-2 1-tert-butyl 4-ethyl 4-(trifluoromethyl)piperidine-1,4-dicarboxylate molecular structure lightbox
CAS RN: 1255099-09-2

1-tert-butyl 4-ethyl 4-(trifluoromethyl)piperidine-1,4-dicarboxylate

  • Product code: SSC-030244
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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: >97%
  • Inventory rows with stock: 3
  • 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 1255099-09-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Shenzhen Inquiry
1g >97% 1 In Stock Hong Kong Inquiry
5g >97% 0 Out of Stock Beijing Inquiry

1255099-09-2 / 1-O-tert-butyl 4-O-ethyl 4-(trifluoromethyl)piperidine-1,4-dicarboxylate

Standard CAS: 1255099-09-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1255099-09-2
Multi CAS
No
Molecular Formula
C14H22F3NO4
Molecular Weight
325.320000
Exact Mass
325.150093
SMILES
CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)C(F)(F)F
InChI
InChI=1S/C14H22F3NO4/c1-5-21-10(19)13(14(15,16)17)6-8-18(9-7-13)11(20)22-12(2,3)4/h5-9H2,1-4H3
InChIKey
JYUWLRUMOZOHRW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
72.16
TPSA
55.84

LogP / Solubility

WLOGP
3.13
MLOGP
2.77
XLogP3
2.8
Consensus LogP
2.9
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.61
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)
-2.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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