CAS RN: 2438721-44-7
ChX710
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250607 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250620 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250212 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250709 | 250mg | Out of stock | Inquiry | |
| Batchno.20251120 | 50mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20250101 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2438721-44-7
- Purity/Analytical Methods: >99.0%
2438721-44-7 / N-[1-(dimethylamino)propan-2-yl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide
Basic Information
CAS
2438721-44-7
Multi CAS
No
Molecular Formula
C18H21N5O
Molecular Weight
323.400000
Exact Mass
323.174610
SMILES
CC(CN(C)C)NC(=O)C1=C2C(=CC=C1)NC(=N2)C3=CC=NC=C3
InChI
InChI=1S/C18H21N5O/c1-12(11-23(2)3)20-18(24)14-5-4-6-15-16(14)22-17(21-15)13-7-9-19-10-8-13/h4-10,12H,11H2,1-3H3,(H,20,24)(H,21,22)
InChIKey
HCAALGAOSBFHFP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
15
Fraction Csp3
0.28
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
94.81
TPSA
73.91
LogP / Solubility
WLOGP
2.3
MLOGP
2.04
XLogP3
1.8
Consensus LogP
2.05
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.28
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)
-3.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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