CAS RN: 1378390-62-5
tert-Butyl N-cyclopropyl-N-MethylcarbaMate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250410 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1378390-62-5
- Purity/Analytical Methods: >99.0%
1378390-62-5 / tert-butyl N-cyclopropyl-N-methylcarbamate
Basic Information
CAS
1378390-62-5
Multi CAS
No
Molecular Formula
C9H17NO2
Molecular Weight
171.240000
Exact Mass
171.125929
SMILES
CC(C)(C)OC(=O)N(C)C1CC1
InChI
InChI=1S/C9H17NO2/c1-9(2,3)12-8(11)10(4)7-5-6-7/h7H,5-6H2,1-4H3
InChIKey
VWLNFQMVPUFHDU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
47.02
TPSA
29.54
LogP / Solubility
WLOGP
2.02
MLOGP
1.77
XLogP3
1.7
Consensus LogP
1.83
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
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)
-2.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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