CAS RN: 1615713-87-5
DprE1-IN-2
Product Availability
Choose a grade to view its available package options.
6 package records0 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260124 | 2mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1615713-87-5
- Purity/Analytical Methods: >99.0%
1615713-87-5 / 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide
Basic Information
CAS
1615713-87-5
Multi CAS
No
Molecular Formula
C19H24N6O2
Molecular Weight
368.400000
Exact Mass
368.196074
SMILES
CC1=CC2=C(C(=CN2CC3=C(C(=NC=N3)N(C)C)C)C(=O)NCCO)N=C1
InChI
InChI=1S/C19H24N6O2/c1-12-7-16-17(21-8-12)14(19(27)20-5-6-26)9-25(16)10-15-13(2)18(24(3)4)23-11-22-15/h7-9,11,26H,5-6,10H2,1-4H3,(H,20,27)
InChIKey
BLNAAWXUNQHVNT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
15
Fraction Csp3
0.37
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
2
Molar refractivity
104.09
TPSA
96.17
LogP / Solubility
WLOGP
1.28
MLOGP
1.15
XLogP3
0.7
Consensus LogP
1.04
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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