CAS RN: 1408238-41-4
Dabigatran Impurity 9
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.20260120 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1408238-41-4
- Purity/Analytical Methods: >99.0%
1408238-41-4 / ethyl 2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carboxylate
Basic Information
CAS
1408238-41-4
Multi CAS
No
Molecular Formula
C19H21N5O2
Molecular Weight
351.400000
Exact Mass
351.169525
SMILES
CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)CNC3=CC=C(C=C3)C(=N)N)C
InChI
InChI=1S/C19H21N5O2/c1-3-26-19(25)13-6-9-16-15(10-13)23-17(24(16)2)11-22-14-7-4-12(5-8-14)18(20)21/h4-10,22H,3,11H2,1-2H3,(H3,20,21)
InChIKey
PPAZZPSWYIRKMT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
15
Fraction Csp3
0.21
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
3
Molar refractivity
101.46
TPSA
106.02
LogP / Solubility
WLOGP
2.65
MLOGP
2.35
XLogP3
2.1
Consensus LogP
2.37
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.86
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.98
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
2.5
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