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CAS 1439319-94-4 (2R,5S)-4-(tert-butoxycarbonyl)-5-MethylMorpholine-2-carboxylic acid molecular structure lightbox
CAS RN: 1439319-94-4

(2R,5S)-4-(tert-butoxycarbonyl)-5-MethylMorpholine-2-carboxylic acid

  • Product code: SSC-055193
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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: 0.05g, 0.1g, 0.25g, 1g
  • 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 1439319-94-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g >95% 1 In Stock Shenzhen Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Shenzhen Inquiry

1439319-94-4 / (2R,5S)-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid

Standard CAS: 1439319-94-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1439319-94-4
Multi CAS
No
Molecular Formula
C11H19NO5
Molecular Weight
245.270000
Exact Mass
245.126323
SMILES
C[C@H]1CO[C@H](CN1C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C11H19NO5/c1-7-6-16-8(9(13)14)5-12(7)10(15)17-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14)/t7-,8+/m0/s1
InChIKey
MTVXSGMUDRWQHZ-JGVFFNPUSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
59.78
TPSA
76.07

LogP / Solubility

WLOGP
1.1
MLOGP
0.97
XLogP3
0.8
Consensus LogP
0.96
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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