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CAS 142602-46-8 Acetic acid, [[(1,1-diMethylethoxy)carbonyl]aMino](diMethoxyphosphinyl)-, ethyl ester molecular structure lightbox
CAS RN: 142602-46-8

Acetic acid, [[(1,1-diMethylethoxy)carbonyl]aMino](diMethoxyphosphinyl)-, ethyl ester

  • Product code: SSC-053381
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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: 1g, 0.1g, 0.25g, 10g, 5g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 142602-46-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shenzhen Inquiry
0.1g >97% 2 In Stock Shenzhen Inquiry
0.25g >97% 2 In Stock Shanghai Inquiry
10g >97% 2 In Stock Shenzhen Inquiry
5g >97% 1 In Stock Shanghai Inquiry
25g >97% 1 In Stock Beijing Inquiry

142602-46-8 / ethyl 2-dimethoxyphosphoryl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

Standard CAS: 142602-46-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
142602-46-8
Multi CAS
No
Molecular Formula
C11H22NO7P
Molecular Weight
311.270000
Exact Mass
311.113389
SMILES
CCOC(=O)C(NC(=O)OC(C)(C)C)P(=O)(OC)OC
InChI
InChI=1S/C11H22NO7P/c1-7-18-9(13)8(20(15,16-5)17-6)12-10(14)19-11(2,3)4/h8H,7H2,1-6H3,(H,12,14)
InChIKey
MUICEMIMMHJMGE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.82
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
1
Molar refractivity
71.42
TPSA
100.16

LogP / Solubility

WLOGP
1.89
MLOGP
1.67
XLogP3
0.6
Consensus LogP
1.39
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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