CAS RN: 596095-16-8
4-(difluoromethyl)-N-hydroxybenzimidoyl chloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250521 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS596095-16-8
- Purity/Analytical Methods: >99.0%
596095-16-8 / 4-(difluoromethyl)-N-hydroxybenzenecarboximidoyl chloride
Basic Information
CAS
596095-16-8
Multi CAS
Yes
Molecular Formula
C8H6CLF2NO
Molecular Weight
205.590000
Exact Mass
205.010598
InChI
InChI=1S/C8H6ClF2NO/c9-7(12-13)5-1-3-6(4-2-5)8(10)11/h1-4,8,13H/b12-7-
InChIKey
IQDPAKXKVRDPHR-GHXNOFRVSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.58
TPSA
32.59
LogP / Solubility
WLOGP
3
MLOGP
2.64
XLogP3
3.3
Consensus LogP
2.98
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
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)
-1.84
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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![CAS 596794-91-1 ETHYL 4-CHLOROTHIENO[2,3-D]PYRIMIDINE-6-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/596794-91-1.gif)