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CAS 57451-84-0 1-Imidazolidinecarbonyl chloride, 3-methyl-2-oxo- (9CI) molecular structure lightbox
CAS RN: 57451-84-0

1-Imidazolidinecarbonyl chloride, 3-methyl-2-oxo- (9CI)

  • Product code: SSC-165608
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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 57451-84-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

57451-84-0 / 3-methyl-2-oxoimidazolidine-1-carbonyl chloride

Standard CAS: 57451-84-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
57451-84-0
Multi CAS
No
Molecular Formula
C5H7CLN2O2
Molecular Weight
162.570000
Exact Mass
162.019605
InChI
InChI=1S/C5H7ClN2O2/c1-7-2-3-8(4(6)9)5(7)10/h2-3H2,1H3
InChIKey
OIOGFDPKEOSFCZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.6
H-bond acceptors
2
Molar refractivity
35.98
TPSA
40.62

LogP / Solubility

WLOGP
0.71
MLOGP
0.62
XLogP3
0.4
Consensus LogP
0.58
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-1.41
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.31
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)
-3.21

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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