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CAS 928758-14-9 (S)-2-((TERT-BUTOXYCARBONYL)AMINO)-2-(1-METHYLCYCLOPROPYL)ACETIC ACID molecular structure lightbox
CAS RN: 928758-14-9

(S)-2-((TERT-BUTOXYCARBONYL)AMINO)-2-(1-METHYLCYCLOPROPYL)ACETIC ACID

  • Product code: SSC-206753
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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
  • Available purity: >97%
  • Inventory rows with stock: 2
  • 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 928758-14-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Shenzhen Inquiry
1g >97% 0 Out of Stock Hong Kong Inquiry

928758-14-9 / 2-(1-methylcyclopropyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

Standard CAS: 928758-14-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
928758-14-9
Multi CAS
Yes
Molecular Formula
C11H19NO4
Molecular Weight
229.270000
Exact Mass
229.131408
InChI
InChI=1S/C11H19NO4/c1-10(2,3)16-9(15)12-7(8(13)14)11(4)5-6-11/h7H,5-6H2,1-4H3,(H,12,15)(H,13,14)/t7-/m1/s1
InChIKey
YIVOXOHBBPCXTC-SSDOTTSWSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.82
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
58.13
TPSA
75.63

LogP / Solubility

WLOGP
1.76
MLOGP
1.56
XLogP3
1.7
Consensus LogP
1.67
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.97
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)
-2.87

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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