![CAS 2225836-30-4 Acetamide, N-[2-(5-chloro-2,6-dimethoxy-1H-benzimidazol-1-yl)ethyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2225836-30-4.gif)
CAS RN: 2225836-30-4
Acetamide, N-[2-(5-chloro-2,6-dimethoxy-1H-benzimidazol-1-yl)ethyl]-
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250418 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2225836-30-4
- Purity/Analytical Methods: >99.0%
2225836-30-4 / N-[2-(5-chloro-2,6-dimethoxybenzimidazol-1-yl)ethyl]acetamide
Basic Information
CAS
2225836-30-4
Multi CAS
No
Molecular Formula
C13H16ClN3O3
Molecular Weight
297.740000
Exact Mass
297.088019
SMILES
CC(=O)NCCN1C2=CC(=C(C=C2N=C1OC)Cl)OC
InChI
InChI=1S/C13H16ClN3O3/c1-8(18)15-4-5-17-11-7-12(19-2)9(14)6-10(11)16-13(17)20-3/h6-7H,4-5H2,1-3H3,(H,15,18)
InChIKey
BVSLRGAPRGQWNC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.38
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
76.53
TPSA
65.38
LogP / Solubility
WLOGP
1.84
MLOGP
1.63
XLogP3
1.6
Consensus LogP
1.69
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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![CAS 2225878-88-4 (3S)-6-BROMO-2,3-DIHYDROBENZO[B]FURAN-3-YLAMINE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2225878-88-4.gif)
