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CAS 687-48-9 ethyl dimethylcarbamate molecular structure lightbox
CAS RN: 687-48-9

ethyl dimethylcarbamate

  • Product code: SSC-178390
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 687-48-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

687-48-9 / ethyl N,N-dimethylcarbamate

Standard CAS: 687-48-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
687-48-9
Multi CAS
Yes
Molecular Formula
C5H11NO2
Molecular Weight
117.150000
Exact Mass
117.078979
InChI
InChI=1S/C5H11NO2/c1-4-8-5(7)6(2)3/h4H2,1-3H3
InChIKey
SUDHEDJJFGYYPL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
30.71
TPSA
29.54

LogP / Solubility

WLOGP
0.7
MLOGP
0.61
XLogP3
0.9
Consensus LogP
0.74
Log S (ESOL)
-0.94
Class (ESOL)
Very soluble
Log S (Ali)
-1.03
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.13
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)
-2.93

Drug-likeness / Medicinal Chemistry

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

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