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CAS 1083168-94-8 “2-Methoxy-3-nitro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridine” molecular structure lightbox
CAS RN: 1083168-94-8

“2-Methoxy-3-nitro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridine”

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8 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260303 100mg In stock Inquiry
Batchno.20260127 1g In stock Inquiry
Batchno.20260624 250mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250515 100mg In stock Shanghai Inquiry
Batchno.20260414 10g In stock Shanghai Inquiry
Batchno.20260226 1g Out of stock Inquiry
Batchno.20260128 250mg In stock Shanghai Inquiry
Batchno.20260411 5g Out of stock Inquiry
  • Product code: SSC-009664
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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 1083168-94-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1083168-94-8 / 2-methoxy-3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

2-Methoxy-3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine | 2-Methoxy-3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-pyridine | MFCD12923397

Standard CAS: 1083168-94-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1083168-94-8
Multi CAS
No
Molecular Formula
C12H17BN2O5
Molecular Weight
280.090000
Exact Mass
280.123052
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)OC)[N+](=O)[O-]
InChI
InChI=1S/C12H17BN2O5/c1-11(2)12(3,4)20-13(19-11)8-6-9(15(16)17)10(18-5)14-7-8/h6-7H,1-5H3
InChIKey
XWXOPFXUTOQOSM-UHFFFAOYSA-N
Synonyms
2-Methoxy-3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine 2-Methoxy-3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-pyridine MFCD12923397 C12H17BN2O5 2-METHOXY-3-NITROPYRIDINE-5-BORONIC ACID PINACOL ESTER

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
73.16
TPSA
83.72

LogP / Solubility

WLOGP
1.3
MLOGP
1.15
XLogP3
1.3
Consensus LogP
1.25
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-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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