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CAS 1269755-24-9 4-tert-butyl 2-ethyl 2-methylmorpholine-2,4-dicarboxylate molecular structure lightbox
CAS RN: 1269755-24-9

4-tert-butyl 2-ethyl 2-methylmorpholine-2,4-dicarboxylate

  • Product code: SSC-034313
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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: 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 1269755-24-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 2 In Stock Beijing Inquiry
0.25g >97% 2 In Stock Beijing Inquiry
1g >97% 2 In Stock Shenzhen Inquiry
5g >97% 2 In Stock Shanghai Inquiry

1269755-24-9 / 4-O-tert-butyl 2-O-methyl 2-methylmorpholine-2,4-dicarboxylate

Standard CAS: 1269755-24-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1269755-24-9
Multi CAS
No
Molecular Formula
C12H21NO5
Molecular Weight
259.300000
Exact Mass
259.141973
SMILES
CC1(CN(CCO1)C(=O)OC(C)(C)C)C(=O)OC
InChI
InChI=1S/C12H21NO5/c1-11(2,3)18-10(15)13-6-7-17-12(4,8-13)9(14)16-5/h6-8H2,1-5H3
InChIKey
VOUBMNNPPWLOHA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
64.18
TPSA
65.07

LogP / Solubility

WLOGP
1.19
MLOGP
1.05
XLogP3
0.9
Consensus LogP
1.05
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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