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CAS 1628679-52-6 tert-Butyl (2-(2-hydroxyethoxy)ethyl)(methyl)carbamate molecular structure lightbox
CAS RN: 1628679-52-6

tert-Butyl (2-(2-hydroxyethoxy)ethyl)(methyl)carbamate

  • Product code: SSC-070332
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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, 10g, 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 1628679-52-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Beijing Inquiry
0.25g >97% 5 In Stock Beijing Inquiry
1g >97% 5 In Stock Shanghai Inquiry
5g >97% 5 In Stock Shenzhen Inquiry
10g >97% 2 In Stock Hong Kong Inquiry
25g >97% 2 In Stock Shanghai Inquiry

1628679-52-6 / tert-butyl N-[2-(2-hydroxyethoxy)ethyl]-N-methylcarbamate

Standard CAS: 1628679-52-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1628679-52-6
Multi CAS
No
Molecular Formula
C10H21NO4
Molecular Weight
219.280000
Exact Mass
219.147058
SMILES
CC(C)(C)OC(=O)N(C)CCOCCO
InChI
InChI=1S/C10H21NO4/c1-10(2,3)15-9(13)11(4)5-7-14-8-6-12/h12H,5-8H2,1-4H3
InChIKey
CZEZSIHDVIWHNE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
56.77
TPSA
59

LogP / Solubility

WLOGP
0.86
MLOGP
0.76
XLogP3
0.3
Consensus LogP
0.64
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.4
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)
-3.45

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

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