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CAS 200640-83-1 2-(Boc-amino)-3-(diethoxyphosphoryl)propionic Acid molecular structure lightbox
CAS RN: 200640-83-1

2-(Boc-amino)-3-(diethoxyphosphoryl)propionic Acid

  • Product code: SSC-094611
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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: ≥95%
  • 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 200640-83-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
1g ≥95% 1 In Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

200640-83-1 / 3-diethoxyphosphoryl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Standard CAS: 200640-83-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
200640-83-1
Multi CAS
No
Molecular Formula
C12H24NO7P
Molecular Weight
325.300000
Exact Mass
325.129039
SMILES
CCOP(=O)(CC(C(=O)O)NC(=O)OC(C)(C)C)OCC
InChI
InChI=1S/C12H24NO7P/c1-6-18-21(17,19-7-2)8-9(10(14)15)13-11(16)20-12(3,4)5/h9H,6-8H2,1-5H3,(H,13,16)(H,14,15)
InChIKey
MGSABLKLLXJFRB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.83
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
2
Molar refractivity
76.52
TPSA
111.16

LogP / Solubility

WLOGP
2.23
MLOGP
1.98
XLogP3
0.5
Consensus LogP
1.57
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.84
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.59
Class (SILICOS-IT)
Slightly 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)
-3.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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