CAS RN: 179167-09-0
tert-butyl 2-(bis(2-aminoethyl)amino)ethylcarbamate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251103 | 100mg / 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong, Hebei | 5-7 business days | Inquiry |
- Product code: SSC-079831
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: 5g
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
179167-09-0 / tert-butyl N-[2-[bis(2-aminoethyl)amino]ethyl]carbamate
Basic Information
CAS
179167-09-0
Multi CAS
No
Molecular Formula
C11H26N4O2
Molecular Weight
246.350000
Exact Mass
246.205576
SMILES
CC(C)(C)OC(=O)NCCN(CCN)CCN
InChI
InChI=1S/C11H26N4O2/c1-11(2,3)17-10(16)14-6-9-15(7-4-12)8-5-13/h4-9,12-13H2,1-3H3,(H,14,16)
InChIKey
BVAMRLJEVWHBGG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.91
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
3
Molar refractivity
68.79
TPSA
93.61
LogP / Solubility
WLOGP
-0.27
MLOGP
-0.23
XLogP3
-0.9
Consensus LogP
-0.47
Log S (ESOL)
-0.74
Class (ESOL)
Very soluble
Log S (Ali)
-1.39
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.88
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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