CAS RN: 182120-89-4
METHYL 2-((TERT-BUTOXYCARBONYLAMINO)METHYL)OXAZOLE-4-CARBOXYLATE
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-082985
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Beijing | Inquiry |
182120-89-4 / methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazole-4-carboxylate
Basic Information
CAS
182120-89-4
Multi CAS
No
Molecular Formula
C11H16N2O5
Molecular Weight
256.250000
Exact Mass
256.105922
SMILES
CC(C)(C)OC(=O)NCC1=NC(=CO1)C(=O)OC
InChI
InChI=1S/C11H16N2O5/c1-11(2,3)18-10(15)12-5-8-13-7(6-17-8)9(14)16-4/h6H,5H2,1-4H3,(H,12,15)
InChIKey
LBMUDSGZSJTLCL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
5
Fraction Csp3
0.55
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
60.92
TPSA
90.66
LogP / Solubility
WLOGP
1.49
MLOGP
1.31
XLogP3
1.1
Consensus LogP
1.3
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.23
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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