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CAS 1073055-69-2 4-(aMinoMethyl)-3-fluorophenylboronic acid molecular structure lightbox
CAS RN: 1073055-69-2

4-(aMinoMethyl)-3-fluorophenylboronic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251201 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-008848
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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: ≥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 1073055-69-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1073055-69-2 / [4-(aminomethyl)-3-fluorophenyl]boronic acid

(4-(Aminomethyl)-3-fluorophenyl)boronic acid | MFCD24444629 | C7H9BFNO2

Standard CAS: 1073055-69-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1073055-69-2
Multi CAS
No
Molecular Formula
C7H9BFNO2
Molecular Weight
168.960000
Exact Mass
169.071037
SMILES
B(C1=CC(=C(C=C1)CN)F)(O)O
InChI
InChI=1S/C7H9BFNO2/c9-7-3-6(8(11)12)2-1-5(7)4-10/h1-3,11-12H,4,10H2
InChIKey
BUOUATUDGNOYMP-UHFFFAOYSA-N
Synonyms
(4-(Aminomethyl)-3-fluorophenyl)boronic acid MFCD24444629 C7H9BFNO2 [4-(aminomethyl)-3-fluorophenyl]boronic acid [4-(aminomethyl)-3-fluoro-phenyl]boronic acid

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
44.12
TPSA
66.48

LogP / Solubility

WLOGP
-1.04
MLOGP
-0.92
XLogP3
-1.04
Consensus LogP
-1
Log S (ESOL)
-0.47
Class (ESOL)
Very soluble
Log S (Ali)
-0.2
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.14
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.49

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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