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CAS 362045-65-6 N-METHYL-4-PYRIDINEBORONIC ACID IODIDE molecular structure lightbox
CAS RN: 362045-65-6

N-METHYL-4-PYRIDINEBORONIC ACID IODIDE

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251009 100mg In stock Shanghai Inquiry
Batchno.20250203 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20260116 1g In stock Shanghai Inquiry
Batchno.20260120 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS362045-65-6
  • Purity/Analytical Methods: >99.0%
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362045-65-6 / (1-methylpyridin-1-ium-4-yl)boronic acid iodide

Standard CAS: 362045-65-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
362045-65-6
Multi CAS
Yes
Molecular Formula
BC6H9InO2
Molecular Weight
264.860000
Exact Mass
264.977110
InChI
InChI=1S/C6H9BNO2.HI/c1-8-4-2-6(3-5-8)7(9)10;/h2-5,9-10H,1H3;1H/q+1;/p-1
InChIKey
DAYRZDDETQWQHL-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
37.44
TPSA
44.34

LogP / Solubility

WLOGP
-4.81
MLOGP
-4.22
XLogP3
-4.81
Consensus LogP
-4.61
Log S (ESOL)
1.21
Class (ESOL)
Highly soluble
Log S (Ali)
1.74
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.49
Class (SILICOS-IT)
Highly 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)
-7.75

Drug-likeness / Medicinal Chemistry

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

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