![CAS 90914-08-2 Tert-Butyl N-[3-(Benzylamino)Propyl]Carbamate(WXC03618) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/90914-08-2.gif)
CAS RN: 90914-08-2
Tert-Butyl N-[3-(Benzylamino)Propyl]Carbamate(WXC03618)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260518 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS90914-08-2
- Purity/Analytical Methods: >99.0%
90914-08-2 / tert-butyl N-[3-(benzylamino)propyl]carbamate
Basic Information
CAS
90914-08-2
Multi CAS
Yes
Molecular Formula
C15H24N2O2
Molecular Weight
264.360000
Exact Mass
264.183778
InChI
InChI=1S/C15H24N2O2/c1-15(2,3)19-14(18)17-11-7-10-16-12-13-8-5-4-6-9-13/h4-6,8-9,16H,7,10-12H2,1-3H3,(H,17,18)
InChIKey
MUCVPGXECWXUCZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
77
TPSA
50.36
LogP / Solubility
WLOGP
2.69
MLOGP
2.38
XLogP3
2.4
Consensus LogP
2.49
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.33
Class (SILICOS-IT)
Slightly 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)
-2.42
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
1.5
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