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CAS 1622217-20-2 Methyl 2-fluoro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxylate molecular structure lightbox
CAS RN: 1622217-20-2

Methyl 2-fluoro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250513 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-069781
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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 1622217-20-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Hong Kong Inquiry

1622217-20-2 / methyl 2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxylate

Standard CAS: 1622217-20-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1622217-20-2
Multi CAS
No
Molecular Formula
C13H17BFNO4
Molecular Weight
281.090000
Exact Mass
281.123466
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)F)C(=O)OC
InChI
InChI=1S/C13H17BFNO4/c1-12(2)13(3,4)20-14(19-12)8-6-9(11(17)18-5)10(15)16-7-8/h6-7H,1-5H3
InChIKey
WSPHCRVNJOWFOY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
71.25
TPSA
57.65

LogP / Solubility

WLOGP
1.31
MLOGP
1.16
XLogP3
1.31
Consensus LogP
1.26
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
Class (SILICOS-IT)
Moderately 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)
-3.51

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
1.5

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