![CAS 2044707-02-8 [(2-chloro-4-fluorophenyl)methyl]hydrazine dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2044707-02-8.png)
CAS RN: 2044707-02-8
[(2-chloro-4-fluorophenyl)methyl]hydrazine dihydrochloride
- Product code: SSC-096230
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Beijing | Inquiry |
2044707-02-8 / (2-chloro-4-fluorophenyl)methylhydrazine;dihydrochloride
Basic Information
CAS
2044707-02-8
Multi CAS
No
Molecular Formula
C7H10Cl3FN2
Molecular Weight
247.500000
Exact Mass
245.989360
SMILES
C1=CC(=C(C=C1F)Cl)CNN.Cl.Cl
InChI
InChI=1S/C7H8ClFN2.2ClH/c8-7-3-6(9)2-1-5(7)4-11-10;;/h1-3,11H,4,10H2;2*1H
InChIKey
SSLRKYMUVWOICP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
56.93
TPSA
38.05
LogP / Solubility
WLOGP
2.29
MLOGP
2.02
XLogP3
2.29
Consensus LogP
2.2
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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