CAS RN: 35754-38-2
3,4-dichloro-5-fluoroaniline
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251006 | 5g / 10g / 25g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS35754-38-2
- Purity/Analytical Methods: >99.0%
35754-38-2 / 3,4-dichloro-5-fluoroaniline
Basic Information
CAS
35754-38-2
Multi CAS
No
Molecular Formula
C6H4CL2FN
Molecular Weight
180.000000
Exact Mass
178.970483
InChI
InChI=1S/C6H4Cl2FN/c7-4-1-3(10)2-5(9)6(4)8/h1-2H,10H2
InChIKey
GMTOVSOYXUGZCV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.83
TPSA
26.02
LogP / Solubility
WLOGP
2.71
MLOGP
2.39
XLogP3
2.8
Consensus LogP
2.63
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.08
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)
-1.89
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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