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CAS 1003298-72-3 (3-Chloro-5-fluoro-4-hydroxyphenyl)boronic acid molecular structure lightbox
CAS RN: 1003298-72-3

(3-Chloro-5-fluoro-4-hydroxyphenyl)boronic acid

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260403 100mg / 250mg / 1g / 5g Out of stock 3-5 business days Inquiry
  • Product code: SSC-000834
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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 1003298-72-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1003298-72-3 / (3-chloro-5-fluoro-4-hydroxyphenyl)boronic acid

(3-Chloro-5-fluoro-4-hydroxyphenyl)boronic acid | 3-Chloro-5-fluoro-4-hydroxyphenylboronic acid | MFCD18447589

Standard CAS: 1003298-72-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1003298-72-3
Multi CAS
No
Molecular Formula
C6H5BClFO3
Molecular Weight
190.370000
Exact Mass
190.000430
SMILES
B(C1=CC(=C(C(=C1)Cl)O)F)(O)O
InChI
InChI=1S/C6H5BClFO3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10-12H
InChIKey
WETMDTXTPLMJHT-UHFFFAOYSA-N
Synonyms
(3-Chloro-5-fluoro-4-hydroxyphenyl)boronic acid 3-Chloro-5-fluoro-4-hydroxyphenylboronic acid MFCD18447589 BORONIC ACID, B-(3-CHLORO-5-FLUORO-4-HYDROXYPHENYL)- 3-Chloro-5-fluoro-4-hydroxyphenyl-boronic Acid

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
42.9
TPSA
60.69

LogP / Solubility

WLOGP
-0.14
MLOGP
-0.12
XLogP3
-0.14
Consensus LogP
-0.13
Log S (ESOL)
-1.24
Class (ESOL)
Soluble
Log S (Ali)
-1.02
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.9
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)
-3.98

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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