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CAS 100299-08-9 Pemirolast Potassium molecular structure lightbox
CAS RN: 100299-08-9

Pemirolast Potassium

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260503 1ml Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260609 10mg / 50mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong, Chongqing 8-10 business days Inquiry
  • Product code: ICTP2547
  • Purity/Analytical Methods: >98.0%(T)(HPLC)
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100299-08-9 / potassium 9-methyl-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrido[1,2-a]pyrimidin-4-one

PEMIROLAST POTASSIUM | Alamast | Pemirolast potassium salt

Standard CAS: 100299-08-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
100299-08-9
Multi CAS
Yes
Molecular Formula
C10H7KN6O
Molecular Weight
266.300000
Exact Mass
266.031840
SMILES
CC1=CC=CN2C1=NC=C(C2=O)C3=NN=N[N-]3.[K+]
InChI
InChI=1S/C10H7N6O.K/c1-6-3-2-4-16-9(6)11-5-7(10(16)17)8-12-14-15-13-8;/h2-5H,1H3;/q-1;+1
InChIKey
NMMVKSMGBDRONO-UHFFFAOYSA-N
Synonyms
PEMIROLAST POTASSIUM Alamast Pemirolast potassium salt Pemilaston Alegysal

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
15
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
6
Molar refractivity
58.34
TPSA
87.14

LogP / Solubility

WLOGP
-3.18
MLOGP
-2.79
XLogP3
-3.18
Consensus LogP
-3.05
Log S (ESOL)
-0.04
Class (ESOL)
Very soluble
Log S (Ali)
0.56
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.13
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)
-6.61

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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