CAS RN: 18250-01-6
Benzimidazole, 1-(ethoxymethyl)- (8CI)
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.20260604 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS18250-01-6
- Purity/Analytical Methods: >99.0%
18250-01-6 / 1-(ethoxymethyl)benzimidazole
Basic Information
CAS
18250-01-6
Multi CAS
No
Molecular Formula
C10H12N2O
Molecular Weight
176.210000
Exact Mass
176.094963
SMILES
CCOCN1C=NC2=CC=CC=C21
InChI
InChI=1S/C10H12N2O/c1-2-13-8-12-7-11-9-5-3-4-6-10(9)12/h3-7H,2,8H2,1H3
InChIKey
BOKYYFVSSFBACN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
51.36
TPSA
27.05
LogP / Solubility
WLOGP
2.03
MLOGP
1.78
XLogP3
1.7
Consensus LogP
1.84
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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