CAS RN: 1624260-37-2
Ethyl 2-(2-(diMethylaMino)pyriMidin-4-yl)-1H-indole-5-carboxylate
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.20250828 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1624260-37-2
- Purity/Analytical Methods: >99.0%
1624260-37-2 / ethyl 2-[2-(dimethylamino)pyrimidin-4-yl]-1H-indole-5-carboxylate
Basic Information
CAS
1624260-37-2
Multi CAS
No
Molecular Formula
C17H18N4O2
Molecular Weight
310.350000
Exact Mass
310.142976
SMILES
CCOC(=O)C1=CC2=C(C=C1)NC(=C2)C3=NC(=NC=C3)N(C)C
InChI
InChI=1S/C17H18N4O2/c1-4-23-16(22)11-5-6-13-12(9-11)10-15(19-13)14-7-8-18-17(20-14)21(2)3/h5-10,19H,4H2,1-3H3
InChIKey
JUNYLBOAWFCONB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
15
Fraction Csp3
0.24
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
89.61
TPSA
71.11
LogP / Solubility
WLOGP
2.87
MLOGP
2.54
XLogP3
2.7
Consensus LogP
2.7
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.54
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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