CAS RN: 1643377-48-3
Dabigatran Etexilate iMpurity
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.20250907 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1643377-48-3
- Purity/Analytical Methods: >99.0%
1643377-48-3 / N-(3-amino-3-oxopropyl)-2-[(4-carbamimidoylanilino)methyl]-1-methyl-N-pyridin-2-ylbenzimidazole-5-carboxamide
Basic Information
CAS
1643377-48-3
Multi CAS
No
Molecular Formula
C25H26N8O2
Molecular Weight
470.500000
Exact Mass
470.217872
SMILES
CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)N)C3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C(=N)N
InChI
InChI=1S/C25H26N8O2/c1-32-20-10-7-17(25(35)33(13-11-21(26)34)22-4-2-3-12-29-22)14-19(20)31-23(32)15-30-18-8-5-16(6-9-18)24(27)28/h2-10,12,14,30H,11,13,15H2,1H3,(H2,26,34)(H3,27,28)
InChIKey
HWDABCWSXKTUOW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
21
Fraction Csp3
0.16
Rotatable bonds
9
H-bond acceptors
7
H-bond donors
4
Molar refractivity
135.22
TPSA
156.01
LogP / Solubility
WLOGP
2.39
MLOGP
2.13
XLogP3
1
Consensus LogP
1.84
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.78
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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