CAS RN: 227318-75-4
Sotirimod
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.20250307 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS227318-75-4
- Purity/Analytical Methods: >99.0%
227318-75-4 / 2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-4-amine
Basic Information
CAS
227318-75-4
Multi CAS
No
Molecular Formula
C14H17N5
Molecular Weight
255.320000
Exact Mass
255.148396
SMILES
CC1=NC2=C(N1CC(C)C)C3=C(C=CC=N3)N=C2N
InChI
InChI=1S/C14H17N5/c1-8(2)7-19-9(3)17-12-13(19)11-10(18-14(12)15)5-4-6-16-11/h4-6,8H,7H2,1-3H3,(H2,15,18)
InChIKey
ZXBCLVSLRUWISJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
13
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
76.82
TPSA
69.62
LogP / Solubility
WLOGP
2.53
MLOGP
2.23
XLogP3
2
Consensus LogP
2.25
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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