CAS RN: 2241300-51-4
AS2863619
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250531 | 5mg / 10mg / 25mg | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS2241300-51-4
- Purity/Analytical Methods: >99.0%
2241300-51-4 / 4-[1-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;dihydrochloride
Basic Information
CAS
2241300-51-4
Multi CAS
No
Molecular Formula
C16H14Cl2N8O
Molecular Weight
405.200000
Exact Mass
404.066763
SMILES
CC1=NC2=C(N1)C=C(C=C2)N3C4=C(C=NC=C4)N=C3C5=NON=C5N.Cl.Cl
InChI
InChI=1S/C16H12N8O.2ClH/c1-8-19-10-3-2-9(6-11(10)20-8)24-13-4-5-18-7-12(13)21-16(24)14-15(17)23-25-22-14;;/h2-7H,1H3,(H2,17,23)(H,19,20);2*1H
InChIKey
LHUAALWRORLTCJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
23
Fraction Csp3
0.06
Rotatable bonds
2
H-bond acceptors
8
H-bond donors
2
Molar refractivity
105.45
TPSA
124.33
LogP / Solubility
WLOGP
3.08
MLOGP
2.74
XLogP3
3.08
Consensus LogP
2.97
Log S (ESOL)
-4.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.09
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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