CAS RN: 2324831-15-2
2324831-15-2
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.20250302 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2324831-15-2
- Purity/Analytical Methods: >99.0%
2324831-15-2 / 6-bromo-5-(bromomethyl)-2-chloro-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one
Basic Information
CAS
2324831-15-2
Multi CAS
No
Molecular Formula
C13H12Br2ClN3O
Molecular Weight
421.510000
Exact Mass
420.901520
SMILES
C1CCC(C1)N2C3=NC(=NC=C3C(=C(C2=O)Br)CBr)Cl
InChI
InChI=1S/C13H12Br2ClN3O/c14-5-8-9-6-17-13(16)18-11(9)19(12(20)10(8)15)7-3-1-2-4-7/h6-7H,1-5H2
InChIKey
KJXTZGCEBDAVJL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
10
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
86.64
TPSA
47.78
LogP / Solubility
WLOGP
4.22
MLOGP
3.74
XLogP3
3.4
Consensus LogP
3.79
Log S (ESOL)
-5.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.14
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 2326428-25-3 1-Piperidinecarboxylic acid, 4-[[5-methyl-3-(1-methylethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-, 1-[(2E)-4-(dimethylamino)-1-oxo-2-buten-1-yl]-3-pyrrolidinyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2326428-25-3.gif)
