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CAS 1260092-44-1 3-[2-[(tert-Butoxycarbonyl)amino]ethoxy]propanoic Acid molecular structure lightbox
CAS RN: 1260092-44-1

3-[2-[(tert-Butoxycarbonyl)amino]ethoxy]propanoic Acid

  • Product code: SSC-031514
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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, 5g, 0.25g, 0.1g, 10g, 25g, 100g
  • Available purity: >95%
  • Inventory rows with stock: 7
  • 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 1260092-44-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Hong Kong Inquiry
5g >95% 5 In Stock Beijing Inquiry
0.25g >95% 3 In Stock Hong Kong Inquiry
0.1g >95% 2 In Stock Beijing Inquiry
10g >95% 2 In Stock Shenzhen Inquiry
25g >95% 2 In Stock Beijing Inquiry
100g >95% 2 In Stock Hong Kong Inquiry

1260092-44-1 / 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]propanoic acid

Standard CAS: 1260092-44-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1260092-44-1
Multi CAS
No
Molecular Formula
C10H19NO5
Molecular Weight
233.260000
Exact Mass
233.126323
SMILES
CC(C)(C)OC(=O)NCCOCCC(=O)O
InChI
InChI=1S/C10H19NO5/c1-10(2,3)16-9(14)11-5-7-15-6-4-8(12)13/h4-7H2,1-3H3,(H,11,14)(H,12,13)
InChIKey
YGNSGMAPLOVGIU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.8
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
57.31
TPSA
84.86

LogP / Solubility

WLOGP
1
MLOGP
0.89
XLogP3
0.3
Consensus LogP
0.73
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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