CAS RN: 1124214-25-0
4-Amino-2-chloro-3-fluorobenzoic acid
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.20250828 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-012863
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 | Hong Kong | Inquiry |
1124214-25-0 / 4-amino-2-chloro-3-fluorobenzoic acid
4-amino-2-chloro-3-fluorobenzoic acid | MFCD20646129 | SCHEMBL1020878
Basic Information
CAS
1124214-25-0
Multi CAS
Yes
Molecular Formula
C7H5ClFNO2
Molecular Weight
189.570000
Exact Mass
188.999284
SMILES
C1=CC(=C(C(=C1C(=O)O)Cl)F)N
InChI
InChI=1S/C7H5ClFNO2/c8-5-3(7(11)12)1-2-4(10)6(5)9/h1-2H,10H2,(H,11,12)
InChIKey
NHDBDTBRXKRBQV-UHFFFAOYSA-N
Synonyms
4-amino-2-chloro-3-fluorobenzoic acid
MFCD20646129
SCHEMBL1020878
NHDBDTBRXKRBQV-UHFFFAOYSA-N
4-amino-2-chloro-3-fluorobenzoicacid
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
42.78
TPSA
63.32
LogP / Solubility
WLOGP
1.76
MLOGP
1.55
XLogP3
1.5
Consensus LogP
1.6
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
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)
-2.63
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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