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 |
1082745-52-5 / (4,4-difluorocyclohexyl)hydrazine
(4,4-difluorocyclohexyl)hydrazine | MFCD19201879 | 1-(4,4-difluorocyclohexyl)hydrazine
Basic Information
CAS
1082745-52-5
Multi CAS
No
Molecular Formula
C6H12F2N2
Molecular Weight
150.170000
Exact Mass
150.096855
SMILES
C1CC(CCC1NN)(F)F
InChI
InChI=1S/C6H12F2N2/c7-6(8)3-1-5(10-9)2-4-6/h5,10H,1-4,9H2
InChIKey
SXKJNUMYKJUOEO-UHFFFAOYSA-N
Synonyms
(4,4-difluorocyclohexyl)hydrazine
MFCD19201879
1-(4,4-difluorocyclohexyl)hydrazine
SCHEMBL1717640
AKOS006332644
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
34.53
TPSA
38.05
LogP / Solubility
WLOGP
1.03
MLOGP
0.9
XLogP3
1
Consensus LogP
0.98
Log S (ESOL)
-1.35
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
Class (SILICOS-IT)
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)
-2.91
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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