CAS RN: 228245-16-7
Carbamic acid, (3-aminopropoxy)-, 1,1-dimethylethyl ester (9CI)
Product Availability
Choose a grade to view its available package options.
5 package records2 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260104 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250401 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250925 | 1g | Out of stock | Inquiry | ||
| Batchno.20260217 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20251020 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS228245-16-7
- Purity/Analytical Methods: >99.0%
228245-16-7 / tert-butyl N-(3-aminopropoxy)carbamate
Basic Information
CAS
228245-16-7
Multi CAS
No
Molecular Formula
C8H18N2O3
Molecular Weight
190.240000
Exact Mass
190.131742
SMILES
CC(C)(C)OC(=O)NOCCCN
InChI
InChI=1S/C8H18N2O3/c1-8(2,3)13-7(11)10-12-6-4-5-9/h4-6,9H2,1-3H3,(H,10,11)
InChIKey
OKYUIKBFUVQYSQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.88
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
48.99
TPSA
73.58
LogP / Solubility
WLOGP
0.79
MLOGP
0.7
XLogP3
0.4
Consensus LogP
0.63
Log S (ESOL)
-1.25
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
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)
-3.32
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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