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 |
219783-75-2 / 3-chloro-4-fluorobenzohydrazide
Basic Information
CAS
219783-75-2
Multi CAS
No
Molecular Formula
C7H6ClFN2O
Molecular Weight
188.590000
Exact Mass
188.015269
SMILES
C1=CC(=C(C=C1C(=O)NN)Cl)F
InChI
InChI=1S/C7H6ClFN2O/c8-5-3-4(7(12)11-10)1-2-6(5)9/h1-3H,10H2,(H,11,12)
InChIKey
UAXDFZDWRYDZEJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
43.06
TPSA
55.12
LogP / Solubility
WLOGP
1.08
MLOGP
0.95
XLogP3
1.3
Consensus LogP
1.11
Log S (ESOL)
-2
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
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)
-3.1
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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