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CAS 71545-60-3 ETHYL 2,2-DIMETHOXYETHYLCARBAMATE molecular structure lightbox
CAS RN: 71545-60-3

ETHYL 2,2-DIMETHOXYETHYLCARBAMATE

  • Product code: SSC-181134
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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
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • 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 71545-60-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 1 In Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

71545-60-3 / ethyl N-(2,2-dimethoxyethyl)carbamate

Standard CAS: 71545-60-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
71545-60-3
Multi CAS
No
Molecular Formula
C7H15NO4
Molecular Weight
177.200000
Exact Mass
177.100108
InChI
InChI=1S/C7H15NO4/c1-4-12-7(9)8-5-6(10-2)11-3/h6H,4-5H2,1-3H3,(H,8,9)
InChIKey
LBLQPBVEGKLIEU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.86
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
42.83
TPSA
56.79

LogP / Solubility

WLOGP
0.35
MLOGP
0.31
XLogP3
0.2
Consensus LogP
0.29
Log S (ESOL)
-0.83
Class (ESOL)
Very soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
Class (SILICOS-IT)
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)
-3.55

Drug-likeness / Medicinal Chemistry

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

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