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CAS 1073354-81-0 6-(4-FLUOROPHENYL)PYRIDINE-3-BORONIC ACID PINACOL ESTER molecular structure lightbox
CAS RN: 1073354-81-0

6-(4-FLUOROPHENYL)PYRIDINE-3-BORONIC ACID PINACOL ESTER

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260211 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-008919
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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 1073354-81-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

1073354-81-0 / 2-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

2-(4-Fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine | DTXSID90660637 | RefChem:252369

Standard CAS: 1073354-81-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1073354-81-0
Multi CAS
Yes
Molecular Formula
C17H19BFNO2
Molecular Weight
299.100000
Exact Mass
299.149287
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)C3=CC=C(C=C3)F
InChI
InChI=1S/C17H19BFNO2/c1-16(2)17(3,4)22-18(21-16)13-7-10-15(20-11-13)12-5-8-14(19)9-6-12/h5-11H,1-4H3
InChIKey
CTCLIEHCPOJNSW-UHFFFAOYSA-N
Synonyms
2-(4-Fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine DTXSID90660637 RefChem:252369 DTXCID90611386 6-(4-Fluorophenyl)pyridine-3-boronic acid pinacol ester

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
85.35
TPSA
31.35

LogP / Solubility

WLOGP
3.19
MLOGP
2.82
XLogP3
3.19
Consensus LogP
3.07
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.49
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H413 (90.5%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501

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