CAS RN: 1677668-27-7
GNE-6468
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.20251223 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1677668-27-7
- Purity/Analytical Methods: >99.0%
1677668-27-7 / 4-[6-(2-chloro-6-cyclopropylbenzoyl)imidazo[1,5-a]pyrimidin-8-yl]-2-hydroxybenzoic acid
Basic Information
CAS
1677668-27-7
Multi CAS
No
Molecular Formula
C23H16ClN3O4
Molecular Weight
433.800000
Exact Mass
433.082934
SMILES
C1CC1C2=C(C(=CC=C2)Cl)C(=O)C3=NC(=C4N3C=CC=N4)C5=CC(=C(C=C5)C(=O)O)O
InChI
InChI=1S/C23H16ClN3O4/c24-16-4-1-3-14(12-5-6-12)18(16)20(29)22-26-19(21-25-9-2-10-27(21)22)13-7-8-15(23(30)31)17(28)11-13/h1-4,7-12,28H,5-6H2,(H,30,31)
InChIKey
GIYKJPISDNWSJD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
21
Fraction Csp3
0.13
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
113.91
TPSA
104.79
LogP / Solubility
WLOGP
4.56
MLOGP
4.04
XLogP3
5.7
Consensus LogP
4.77
Log S (ESOL)
-5.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.87
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.13
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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