![CAS 1326242-72-1 Di-Tert-Butyl 1-(Bicyclo[1.1.1]Pentan-1-Yl)Hydrazine-1,2-Dicarboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1326242-72-1.gif)
CAS RN: 1326242-72-1
Di-Tert-Butyl 1-(Bicyclo[1.1.1]Pentan-1-Yl)Hydrazine-1,2-Dicarboxylate
- Product code: SSC-039431
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1326242-72-1 / tert-butyl N-(1-bicyclo[1.1.1]pentanyl)-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate
Basic Information
CAS
1326242-72-1
Multi CAS
No
Molecular Formula
C15H26N2O4
Molecular Weight
298.380000
Exact Mass
298.189257
SMILES
CC(C)(C)OC(=O)NN(C(=O)OC(C)(C)C)C12CC(C1)C2
InChI
InChI=1S/C15H26N2O4/c1-13(2,3)20-11(18)16-17(12(19)21-14(4,5)6)15-7-10(8-15)9-15/h10H,7-9H2,1-6H3,(H,16,18)
InChIKey
FEPHQWPVQIMVGG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.87
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
77.51
TPSA
67.87
LogP / Solubility
WLOGP
3.22
MLOGP
2.84
XLogP3
2.8
Consensus LogP
2.95
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.39
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)
-2.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4.5
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