CAS RN: 3799-24-4
3-AMINO-4-FLUOROBENZOIC ACID HYDROCHLORIDE
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.20250831 | 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS3799-24-4
- Purity/Analytical Methods: >99.0%
3799-24-4 / 3-amino-4-fluorobenzoic acid;hydrochloride
Basic Information
CAS
3799-24-4
Multi CAS
No
Molecular Formula
C7H7CLFNO2
Molecular Weight
191.590000
Exact Mass
191.014934
InChI
InChI=1S/C7H6FNO2.ClH/c8-5-2-1-4(7(10)11)3-6(5)9;/h1-3H,9H2,(H,10,11);1H
InChIKey
OVKIGFOQERHAIF-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
45.02
TPSA
63.32
LogP / Solubility
WLOGP
1.53
MLOGP
1.34
XLogP3
1.53
Consensus LogP
1.47
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
Class (SILICOS-IT)
Moderately 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)
-2.8
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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