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CAS 10095-06-4 mebikar molecular structure lightbox
CAS RN: 10095-06-4

mebikar

  • Product code: SSC-001727
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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 10095-06-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

10095-06-4 / 1,3,4,6-tetramethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione

Mebicar | mebikar | Tetramethylglycoluril

Standard CAS: 10095-06-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10095-06-4
Multi CAS
No
Molecular Formula
C8H14N4O2
Molecular Weight
198.220000
Exact Mass
198.111676
SMILES
CN1C2C(N(C1=O)C)N(C(=O)N2C)C
InChI
InChI=1S/C8H14N4O2/c1-9-5-6(11(3)7(9)13)12(4)8(14)10(5)2/h5-6H,1-4H3
InChIKey
XIUUSFJTJXFNGH-UHFFFAOYSA-N
Synonyms
Mebicar mebikar Tetramethylglycoluril Tetrahydro-1,3,4,6-tetramethylimidazo(4,5-d)imidazole-2,5(1H,3H)-dione 55FE6NPG89

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.75
H-bond acceptors
2
Molar refractivity
49.42
TPSA
47.1

LogP / Solubility

WLOGP
-0.37
MLOGP
-0.32
XLogP3
-0.9
Consensus LogP
-0.53
Log S (ESOL)
-0.84
Class (ESOL)
Very soluble
Log S (Ali)
-0.92
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.64
Class (SILICOS-IT)
Very 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)
-4.19

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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