CAS RN: 1214910-72-1
tert-butyl 2-(4,4-difluorocyclohexyl)hydrazinecarboxylate
- Product code: SSC-023975
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 | Beijing | Inquiry |
1214910-72-1 / tert-butyl N-[(4,4-difluorocyclohexyl)amino]carbamate
Basic Information
CAS
1214910-72-1
Multi CAS
No
Molecular Formula
C11H20F2N2O2
Molecular Weight
250.290000
Exact Mass
250.149284
SMILES
CC(C)(C)OC(=O)NNC1CCC(CC1)(F)F
InChI
InChI=1S/C11H20F2N2O2/c1-10(2,3)17-9(16)15-14-8-4-6-11(12,13)7-5-8/h8,14H,4-7H2,1-3H3,(H,15,16)
InChIKey
WOENHMHUZMWRJY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
59.71
TPSA
50.36
LogP / Solubility
WLOGP
2.59
MLOGP
2.29
XLogP3
2.6
Consensus LogP
2.49
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41
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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