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CAS RN: 102064-45-9
Ibudilast-d3 (Major)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250114 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS102064-45-9
- Purity/Analytical Methods: >99.0%
102064-45-9 / 2-methyl-1-(4,5,6,7-tetradeuterio-2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one
ibudilast | Ketas | KC-404
Basic Information
CAS
102064-45-9
Multi CAS
Yes
Molecular Formula
C14H18N2O
Molecular Weight
234.330000
Exact Mass
234.167020
SMILES
[2H]C1=C(C2=C(C(=NN2C(=C1[2H])[2H])C(C)C)C(=O)C(C)C)[2H]
InChI
InChI=1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3/i5D,6D,7D,8D
InChIKey
ZJVFLBOZORBYFE-KDWZCNHSSA-N
Synonyms
ibudilast
Ketas
KC-404
Ibudilastum
MN-166
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
68.45
TPSA
34.37
LogP / Solubility
WLOGP
3.3
MLOGP
2.9
XLogP3
3
Consensus LogP
3.07
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.25
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)
-1.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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