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CAS 1393822-96-2 Lithium (pyridin-2-yl)trihydroxyborate molecular structure lightbox
CAS RN: 1393822-96-2

Lithium (pyridin-2-yl)trihydroxyborate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250619 1g / 5g / 10g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1393822-96-2
  • Purity/Analytical Methods: >99.0%
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1393822-96-2 / lithium trihydroxy(pyridin-2-yl)boranuide

Standard CAS: 1393822-96-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1393822-96-2
Multi CAS
No
Molecular Formula
C5H7BLiNO3
Molecular Weight
146.900000
Exact Mass
147.067902
SMILES
[Li+].[B-](C1=CC=CC=N1)(O)(O)O
InChI
InChI=1S/C5H7BNO3.Li/c8-6(9,10)5-3-1-2-4-7-5;/h1-4,8-10H;/q-1;+1
InChIKey
HNDMBPNLZOETGU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
3
Molar refractivity
36.28
TPSA
73.58

LogP / Solubility

WLOGP
-4.79
MLOGP
-4.22
XLogP3
-4.79
Consensus LogP
-4.6
Log S (ESOL)
1.93
Class (ESOL)
Highly soluble
Log S (Ali)
2.7
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
3.24
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)
-7.02

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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