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CAS 212650-45-8 MORPHOLINE-3,4-DICARBOXYLIC ACID 4-TERT-BUTYL ESTER 3-METHYL ESTER molecular structure lightbox
CAS RN: 212650-45-8

MORPHOLINE-3,4-DICARBOXYLIC ACID 4-TERT-BUTYL ESTER 3-METHYL ESTER

  • Product code: SSC-101593
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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: ≥98%
  • 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 212650-45-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥98% 1 In Stock Hong Kong Inquiry
0.25g ≥98% 1 In Stock Beijing Inquiry
1g ≥98% 1 In Stock Shenzhen Inquiry
5g ≥98% 0 Out of Stock Hong Kong Inquiry

212650-45-8 / 4-O-tert-butyl 3-O-methyl morpholine-3,4-dicarboxylate

Standard CAS: 212650-45-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
212650-45-8
Multi CAS
No
Molecular Formula
C11H19NO5
Molecular Weight
245.270000
Exact Mass
245.126323
SMILES
CC(C)(C)OC(=O)N1CCOCC1C(=O)OC
InChI
InChI=1S/C11H19NO5/c1-11(2,3)17-10(14)12-5-6-16-7-8(12)9(13)15-4/h8H,5-7H2,1-4H3
InChIKey
KHKJMJAQUGFIHO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
59.56
TPSA
65.07

LogP / Solubility

WLOGP
0.8
MLOGP
0.71
XLogP3
0.7
Consensus LogP
0.74
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.03
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)
-3.65

Drug-likeness / Medicinal Chemistry

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

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