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CAS 208641-98-9 3,5-DIFLUORO-4-METHOXY-PHENYLBORONIC ACID molecular structure lightbox
CAS RN: 208641-98-9

3,5-DIFLUORO-4-METHOXY-PHENYLBORONIC ACID

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260516 100mg In stock Shanghai, Chengdu Inquiry
Batchno.20250626 1g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20251118 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260320 25g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20251114 5g In stock Shanghai Inquiry
  • Product code: SSC-098047
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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: 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • 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 208641-98-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 4 In Stock Beijing Inquiry
1g ≥95% 2 In Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

208641-98-9 / (3,5-difluoro-4-methoxyphenyl)boronic acid

Standard CAS: 208641-98-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
208641-98-9
Multi CAS
No
Molecular Formula
C7H7BF2O3
Molecular Weight
187.940000
Exact Mass
188.045631
SMILES
B(C1=CC(=C(C(=C1)F)OC)F)(O)O
InChI
InChI=1S/C7H7BF2O3/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3,11-12H,1H3
InChIKey
JJRIEFCRGWHLES-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
42.74
TPSA
49.69

LogP / Solubility

WLOGP
-0.35
MLOGP
-0.31
XLogP3
-0.35
Consensus LogP
-0.34
Log S (ESOL)
-1
Class (ESOL)
Very soluble
Log S (Ali)
-0.85
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.83
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)
-4.11

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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