![CAS 394735-18-3 [1-(CyclobutylMethyl)-2-(MethoxyMethylaMino)-2-oxoethyl]-carbaMic Acid 1,1-DiMethylethyl Ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/394735-18-3.gif)
CAS RN: 394735-18-3
[1-(CyclobutylMethyl)-2-(MethoxyMethylaMino)-2-oxoethyl]-carbaMic Acid 1,1-DiMethylethyl Ester
- Product code: SSC-147127
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, 0.25g, 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.
394735-18-3 / tert-butyl N-[3-cyclobutyl-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate
Basic Information
CAS
394735-18-3
Multi CAS
Yes
Molecular Formula
C14H26N2O4
Molecular Weight
286.370000
Exact Mass
286.189257
InChI
InChI=1S/C14H26N2O4/c1-14(2,3)20-13(18)15-11(9-10-7-6-8-10)12(17)16(4)19-5/h10-11H,6-9H2,1-5H3,(H,15,18)
InChIKey
SVCOPFHEMNJDMX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.86
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
74.89
TPSA
67.87
LogP / Solubility
WLOGP
2.09
MLOGP
1.85
XLogP3
2.6
Consensus LogP
2.18
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
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)
-2.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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