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CAS 49754-15-6 Diethyl malonyldicarbamate molecular structure lightbox
CAS RN: 49754-15-6

Diethyl malonyldicarbamate

  • Product code: SSC-156035
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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: 10g
  • Available purity: ＞97%
  • 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 49754-15-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Shenzhen Inquiry

49754-15-6 / ethyl N-[3-(ethoxycarbonylamino)-3-oxopropanoyl]carbamate

Standard CAS: 49754-15-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
49754-15-6
Multi CAS
No
Molecular Formula
C9H14N2O6
Molecular Weight
246.220000
Exact Mass
246.085186
InChI
InChI=1S/C9H14N2O6/c1-3-16-8(14)10-6(12)5-7(13)11-9(15)17-4-2/h3-5H2,1-2H3,(H,10,12,14)(H,11,13,15)
InChIKey
DPOPJTBOMCSYAQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.56
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
54.95
TPSA
110.8

LogP / Solubility

WLOGP
-0.08
MLOGP
-0.06
XLogP3
0.1
Consensus LogP
-0.01
Log S (ESOL)
-1.05
Class (ESOL)
Soluble
Log S (Ali)
-1.52
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
Class (SILICOS-IT)
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)
-4.28

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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