CAS RN: 119838-38-9
(S)-(-)-1-(TERT-BUTOXYCARBONYL)-2-TERT-BUTYL-3-METHYL-4-IMIDAZOLIDINONE
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260126 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-020617
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
119838-38-9 / tert-butyl (2S)-2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate
(S)-tert-Butyl 2-(tert-butyl)-3-methyl-4-oxoimidazolidine-1-carboxylate | (S)-(-)-1-Boc-2-tert-butyl-3-methyl-4-imidazolidinone | tert-butyl (2S)-2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate
Basic Information
CAS
119838-38-9
Multi CAS
Yes
Molecular Formula
C13H24N2O3
Molecular Weight
256.340000
Exact Mass
256.178693
SMILES
CC(C)(C)[C@H]1N(C(=O)CN1C(=O)OC(C)(C)C)C
InChI
InChI=1S/C13H24N2O3/c1-12(2,3)10-14(7)9(16)8-15(10)11(17)18-13(4,5)6/h10H,8H2,1-7H3/t10-/m0/s1
InChIKey
HJJLVATZPPJBNG-JTQLQIEISA-N
Synonyms
(S)-tert-Butyl 2-(tert-butyl)-3-methyl-4-oxoimidazolidine-1-carboxylate
(S)-(-)-1-Boc-2-tert-butyl-3-methyl-4-imidazolidinone
tert-butyl (2S)-2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate
(S)-1-Boc-2-tert-butyl-3-methylimidazolidin-4-one
MFCD00075101
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.85
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
68.95
TPSA
49.85
LogP / Solubility
WLOGP
2.07
MLOGP
1.83
XLogP3
2.3
Consensus LogP
2.07
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.04
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)
-2.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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