![CAS 1172623-95-8 tert-butyl (1-[Methoxy(Methyl)aMino]-1-oxopent-4-yn-2-yl)carbaMate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1172623-95-8.gif)
CAS RN: 1172623-95-8
tert-butyl (1-[Methoxy(Methyl)aMino]-1-oxopent-4-yn-2-yl)carbaMate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250728 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: SSC-017128
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1172623-95-8 / tert-butyl N-[1-[methoxy(methyl)amino]-1-oxopent-4-yn-2-yl]carbamate
tert-butyl (1-(methoxy(methyl)amino)-1-oxopent-4-yn-2-yl)carbamate | MFCD24470975 | 2-(Boc-amino)-N-methoxy-N-methyl-4-pentynamide
Basic Information
CAS
1172623-95-8
Multi CAS
Yes
Molecular Formula
C12H20N2O4
Molecular Weight
256.300000
Exact Mass
256.142307
SMILES
CC(C)(C)OC(=O)NC(CC#C)C(=O)N(C)OC
InChI
InChI=1S/C12H20N2O4/c1-7-8-9(10(15)14(5)17-6)13-11(16)18-12(2,3)4/h1,9H,8H2,2-6H3,(H,13,16)
InChIKey
NWNAEETYPITDNG-UHFFFAOYSA-N
Synonyms
tert-butyl (1-(methoxy(methyl)amino)-1-oxopent-4-yn-2-yl)carbamate
MFCD24470975
2-(Boc-amino)-N-methoxy-N-methyl-4-pentynamide
tert-butyl (1-[methoxy(methyl)amino]-1-oxopent-4-yn-2-yl)carbamate
tert-Butyl [1-[methoxy(methyl)amino]-1-oxo-4-pentyn-2-yl]carbamate
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
66.39
TPSA
67.87
LogP / Solubility
WLOGP
0.92
MLOGP
0.82
XLogP3
1.1
Consensus LogP
0.95
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
Class (SILICOS-IT)
Moderately 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)
-3.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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