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CAS 1231892-80-0 2-(3-Bromo-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane molecular structure lightbox
CAS RN: 1231892-80-0

2-(3-Bromo-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260506 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250102 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250321 1g / 5g / 25g Out of stock 5-7 business days Inquiry
Batchno.20250514 250mg In stock Shanghai, Chengdu Inquiry
Batchno.20251124 25g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250228 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-026815
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 10g, 1g, 25g, 100g, 0.25g, 5g
  • Available purity: ≥98%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1231892-80-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥98% 3 In Stock Hong Kong Inquiry
1g ≥98% 2 In Stock Shenzhen Inquiry
25g ≥98% 2 In Stock Hong Kong Inquiry
100g ≥98% 2 In Stock Beijing Inquiry
0.25g ≥98% 1 In Stock Hong Kong Inquiry
5g ≥98% 0 Out of Stock Hong Kong Inquiry

1231892-80-0 / 2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

Standard CAS: 1231892-80-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1231892-80-0
Multi CAS
No
Molecular Formula
C12H17BFNO2
Molecular Weight
237.080000
Exact Mass
237.133637
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C(=CC=C2)N)F
InChI
InChI=1S/C12H17BFNO2/c1-11(2)12(3,4)17-13(16-11)8-6-5-7-9(15)10(8)14/h5-7H,15H2,1-4H3
InChIKey
JQYPICYMRVGSCU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.53
TPSA
44.48

LogP / Solubility

WLOGP
1.71
MLOGP
1.51
XLogP3
1.71
Consensus LogP
1.64
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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)
-2.95

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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