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CAS 98047-23-5 tri(1H-imidazol-1-yl) borohydride Potassium molecular structure lightbox
CAS RN: 98047-23-5

tri(1H-imidazol-1-yl) borohydride Potassium

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250506 100mg In stock Shanghai Inquiry
Batchno.20260622 1g In stock Chengdu Inquiry
Batchno.20250518 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20260621 5g Out of stock Inquiry
  • Product code: LINH887523
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98047-23-5 / tri(1H-imidazol-1-yl) borohydride Potassium

Standard CAS: 98047-23-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
98047-23-5
Multi CAS
Yes
Molecular Formula
BC9H9KN6
Molecular Weight
251.120000
Exact Mass
251.061881
InChI
InChI=1S/C9H9BN6.K/c1-4-14(7-11-1)10(15-5-2-12-8-15)16-6-3-13-9-16;/h1-9H;/q-1;+1
InChIKey
VKOUUQNTWYRPFD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
15
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
58.63
TPSA
53.46

LogP / Solubility

WLOGP
-2.79
MLOGP
-2.45
XLogP3
-2.79
Consensus LogP
-2.68
Log S (ESOL)
-0.09
Class (ESOL)
Very soluble
Log S (Ali)
0.4
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.66
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)
-6.23

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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