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CAS 1333880-60-6 t-Boc-N-Amido-PEG3-propargyl molecular structure lightbox
CAS RN: 1333880-60-6

t-Boc-N-Amido-PEG3-propargyl

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250705 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-040079
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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, 10g, 25g
  • 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 1333880-60-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 1 In Stock Shanghai Inquiry
5g >95% 1 In Stock Shenzhen Inquiry
10g >95% 1 In Stock Hong Kong Inquiry
25g >95% 0 Out of Stock Shanghai Inquiry

1333880-60-6 / tert-butyl N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]carbamate

Standard CAS: 1333880-60-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1333880-60-6
Multi CAS
No
Molecular Formula
C14H25NO5
Molecular Weight
287.350000
Exact Mass
287.173273
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCC#C
InChI
InChI=1S/C14H25NO5/c1-5-7-17-9-11-19-12-10-18-8-6-15-13(16)20-14(2,3)4/h1H,6-12H2,2-4H3,(H,15,16)
InChIKey
IKRULGOPBBCYPJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.79
Rotatable bonds
10
H-bond acceptors
5
H-bond donors
1
Molar refractivity
75.53
TPSA
66.02

LogP / Solubility

WLOGP
1.19
MLOGP
1.06
XLogP3
0.6
Consensus LogP
0.95
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.72
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.63

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
1.5

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