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CAS 850568-04-6 2-Fluoro-5-(methoxycarbonyl)phenylboronic acid molecular structure lightbox
CAS RN: 850568-04-6

2-Fluoro-5-(methoxycarbonyl)phenylboronic acid

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250522 1g In stock Inquiry
Batchno.20260121 250mg In stock Inquiry
Batchno.20260312 25g In stock Inquiry
Batchno.20250302 5g In stock Inquiry
  • Product code: SSC-193003
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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, 5g, 10g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 850568-04-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry
10g ≥95% 0 Out of Stock Beijing Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

850568-04-6 / (2-fluoro-5-methoxycarbonylphenyl)boronic acid

Standard CAS: 850568-04-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
850568-04-6
Multi CAS
Yes
Molecular Formula
BC8FH8O4
Molecular Weight
197.960000
Exact Mass
198.049967
InChI
InChI=1S/C8H8BFO4/c1-14-8(11)5-2-3-7(10)6(4-5)9(12)13/h2-4,12-13H,1H3
InChIKey
MSASJWBQVSRTOE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
47.57
TPSA
66.76

LogP / Solubility

WLOGP
-0.71
MLOGP
-0.62
XLogP3
-0.71
Consensus LogP
-0.68
Log S (ESOL)
-0.81
Class (ESOL)
Very soluble
Log S (Ali)
-0.67
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.6
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.43

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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