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CAS 2357-51-9 2-METHOXY-4-NITROBENZENEDIAZONIUM TETRAFLUOROBORATE molecular structure lightbox
CAS RN: 2357-51-9

2-METHOXY-4-NITROBENZENEDIAZONIUM TETRAFLUOROBORATE

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260609 1g In stock Inquiry
Batchno.20250727 25g Out of stock Inquiry
Batchno.20260409 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251104 250mg / 500mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS2357-51-9
  • Purity/Analytical Methods: >99.0%
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2357-51-9 / 2-methoxy-4-nitrobenzenediazonium tetrafluoroborate

Standard CAS: 2357-51-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2357-51-9
Multi CAS
No
Molecular Formula
C7H6BF4N3O3
Molecular Weight
266.950000
Exact Mass
267.043834
SMILES
[B-](F)(F)(F)F.COC1=C(C=CC(=C1)[N+](=O)[O-])[N+]#N
InChI
InChI=1S/C7H6N3O3.BF4/c1-13-7-4-5(10(11)12)2-3-6(7)9-8;2-1(3,4)5/h2-4H,1H3;/q+1;-1
InChIKey
GYYABOARHFFQTR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
54.58
TPSA
80.52

LogP / Solubility

WLOGP
3.39
MLOGP
2.99
XLogP3
3.39
Consensus LogP
3.26
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.45
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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