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CAS 63153-56-0 2-Imino-5-(1H-indol-3-ylmethylene)-1,3-dimethylimidazolidin-4-one molecular structure lightbox
CAS RN: 63153-56-0

2-Imino-5-(1H-indol-3-ylmethylene)-1,3-dimethylimidazolidin-4-one

  • Product code: SSC-172727
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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 63153-56-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

63153-56-0 / 2-imino-5-(indol-3-ylidenemethyl)-1,3-dimethylimidazol-4-ol

Standard CAS: 63153-56-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
63153-56-0
Multi CAS
Yes
Molecular Formula
C14H14N4O
Molecular Weight
254.290000
Exact Mass
254.116761
InChI
InChI=1S/C14H14N4O/c1-17-12(13(19)18(2)14(17)15)7-9-8-16-11-6-4-3-5-10(9)11/h3-8,15,19H,1-2H3
InChIKey
CYKDGQFRORUDQP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
74.37
TPSA
66.3

LogP / Solubility

WLOGP
1.81
MLOGP
1.6
XLogP3
0.7
Consensus LogP
1.37
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.99

Drug-likeness / Medicinal Chemistry

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

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