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CAS 325786-23-0 5-Carboxy-4-chloro-2-fluorophenylboronic acid molecular structure lightbox
CAS RN: 325786-23-0

5-Carboxy-4-chloro-2-fluorophenylboronic acid

  • Product code: SSC-138194
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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
  • Available purity: ＞97%
  • 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 325786-23-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

325786-23-0 / 5-borono-2-chloro-4-fluorobenzoic acid

Standard CAS: 325786-23-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
325786-23-0
Multi CAS
No
Molecular Formula
C7H5BCLFO4
Molecular Weight
218.380000
Exact Mass
217.995345
InChI
InChI=1S/C7H5BClFO4/c9-5-2-6(10)4(8(13)14)1-3(5)7(11)12/h1-2,13-14H,(H,11,12)
InChIKey
JITGPPMCCAVZCL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
48.19
TPSA
77.76

LogP / Solubility

WLOGP
-0.14
MLOGP
-0.12
XLogP3
-0.14
Consensus LogP
-0.13
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-1.25
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.2
Class (SILICOS-IT)
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)
-4.15

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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