CAS RN: 1379225-92-9
tert-butyl N-(3-cyanopropyl)-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.20250428 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1379225-92-9
- Purity/Analytical Methods: >99.0%
1379225-92-9 / tert-butyl N-(3-cyanopropyl)-N-methylcarbamate
Basic Information
CAS
1379225-92-9
Multi CAS
No
Molecular Formula
C10H18N2O2
Molecular Weight
198.260000
Exact Mass
198.136828
SMILES
CC(C)(C)OC(=O)N(C)CCCC#N
InChI
InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12(4)8-6-5-7-11/h5-6,8H2,1-4H3
InChIKey
GSLUENRBHZHLRR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
53.71
TPSA
53.33
LogP / Solubility
WLOGP
2.16
MLOGP
1.9
XLogP3
1.2
Consensus LogP
1.75
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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