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CAS 1150114-48-9 3-Amino-5-fluorophenylboronic acid molecular structure lightbox
CAS RN: 1150114-48-9

3-Amino-5-fluorophenylboronic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260216 500mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-014711
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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: 0.1g
  • 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 1150114-48-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

1150114-48-9 / (3-amino-5-fluorophenyl)boronic acid

(3-Amino-5-fluorophenyl)boronic acid | 3-Amino-5-fluorophenylboronic acid | MFCD12025966

Standard CAS: 1150114-48-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1150114-48-9
Multi CAS
Yes
Molecular Formula
C6H7BFNO2
Molecular Weight
154.940000
Exact Mass
155.055387
SMILES
B(C1=CC(=CC(=C1)F)N)(O)O
InChI
InChI=1S/C6H7BFNO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,10-11H,9H2
InChIKey
NHZHXBVKNNGPON-UHFFFAOYSA-N
Synonyms
(3-Amino-5-fluorophenyl)boronic acid 3-Amino-5-fluorophenylboronic acid MFCD12025966 Boronic acid, B-(3-amino-5-fluorophenyl)- (3-Amino-5-fluorophenyl)boronicacid

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
40.64
TPSA
66.48

LogP / Solubility

WLOGP
-0.91
MLOGP
-0.81
XLogP3
-0.91
Consensus LogP
-0.88
Log S (ESOL)
-0.56
Class (ESOL)
Very soluble
Log S (Ali)
-0.17
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.03
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)
-4.31

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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