CAS RN: 1802430-56-3
(6-amino-3-chloro-2-fluorophenyl)boronic 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.20250720 | 100mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-080659
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1802430-56-3 / (6-amino-3-chloro-2-fluorophenyl)boronic acid
Basic Information
CAS
1802430-56-3
Multi CAS
No
Molecular Formula
C6H6BClFNO2
Molecular Weight
189.380000
Exact Mass
189.016415
SMILES
B(C1=C(C=CC(=C1F)Cl)N)(O)O
InChI
InChI=1S/C6H6BClFNO2/c8-3-1-2-4(10)5(6(3)9)7(11)12/h1-2,11-12H,10H2
InChIKey
DFVBNYAMTHHWMF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
45.65
TPSA
66.48
LogP / Solubility
WLOGP
-0.26
MLOGP
-0.23
XLogP3
-0.26
Consensus LogP
-0.25
Log S (ESOL)
-1.16
Class (ESOL)
Soluble
Log S (Ali)
-0.93
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.8
Class (SILICOS-IT)
Very 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)
-4.06
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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