![CAS 128322-44-1 MCLA [Chemiluminescence Reagent] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/a5309-jpgcontextbwfzdgvyfhjvb3r8mjkzodh8aw1hz2uvanblz3xon2qvadm0lzg5mjg1mtq2nza2mjivqtuzmdkuanbnfdbizjm0ogq5ngvimjlizdcxyzzlowviztayy2e4ogvlmgi2oti3nwrlymvhytdjmjyymgq0zwiyyzcwmmzjodk.jpeg)
CAS RN: 128322-44-1
MCLA [Chemiluminescence Reagent]
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250517 | 1mg / 5mg / 25mg / 100mg | Confirm by inquiry | Shanghai, Hebei | Inquiry |
- Product code: ICTA5309
- Purity/Analytical Methods: >98.0%(HPLC)
128322-44-1 / 6-(4-methoxyphenyl)-2-methylimidazo[1,2-a]pyrazin-3-ol;hydrochloride
Basic Information
CAS
128322-44-1
Multi CAS
No
Molecular Formula
C14H14ClN3O2
Molecular Weight
291.730000
Exact Mass
291.077454
SMILES
CC1=C(N2C=C(N=CC2=N1)C3=CC=C(C=C3)OC)O.Cl
InChI
InChI=1S/C14H13N3O2.ClH/c1-9-14(18)17-8-12(15-7-13(17)16-9)10-3-5-11(19-2)6-4-10;/h3-8,18H,1-2H3;1H
InChIKey
MXZACTZQSGYANA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
15
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
78.62
TPSA
59.65
LogP / Solubility
WLOGP
2.84
MLOGP
2.51
XLogP3
2.84
Consensus LogP
2.73
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.15
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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