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CAS 119906-49-9 (S)-1-Z-2-TERT-BUTYL-3-METHYL-4-IMIDAZOLIDINONE molecular structure lightbox
CAS RN: 119906-49-9

(S)-1-Z-2-TERT-BUTYL-3-METHYL-4-IMIDAZOLIDINONE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260425 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-020697
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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: 0.1g
  • 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 119906-49-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry

119906-49-9 / benzyl (2S)-2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate

Benzyl 2-(tert-butyl)-3-methyl-4-oxoimidazolidine-1-carboxylate | benzyl 2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate | SCHEMBL7648974

Standard CAS: 119906-49-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
119906-49-9
Multi CAS
Yes
Molecular Formula
C16H22N2O3
Molecular Weight
290.360000
Exact Mass
290.163043
SMILES
CC(C)(C)[C@H]1N(C(=O)CN1C(=O)OCC2=CC=CC=C2)C
InChI
InChI=1S/C16H22N2O3/c1-16(2,3)14-17(4)13(19)10-18(14)15(20)21-11-12-8-6-5-7-9-12/h5-9,14H,10-11H2,1-4H3/t14-/m0/s1
InChIKey
TZEQABAXFGVJED-AWEZNQCLSA-N
Synonyms
Benzyl 2-(tert-butyl)-3-methyl-4-oxoimidazolidine-1-carboxylate benzyl 2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate SCHEMBL7648974 TZEQABAXFGVJED-UHFFFAOYSA-N AKOS032947900

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
79.35
TPSA
49.85

LogP / Solubility

WLOGP
2.47
MLOGP
2.18
XLogP3
2.8
Consensus LogP
2.48
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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