CAS RN: 6528-85-4
OTAVA-BB 1325754
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.20250305 | 250mg / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS6528-85-4
- Purity/Analytical Methods: >99.0%
6528-85-4 / 2-(2-methoxyphenyl)-1H-benzimidazole
Basic Information
CAS
6528-85-4
Multi CAS
No
Molecular Formula
C14H12N2O
Molecular Weight
224.260000
Exact Mass
224.094963
InChI
InChI=1S/C14H12N2O/c1-17-13-9-5-2-6-10(13)14-15-11-7-3-4-8-12(11)16-14/h2-9H,1H3,(H,15,16)
InChIKey
JNFBDHNAZPBWTF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
68.08
TPSA
37.91
LogP / Solubility
WLOGP
3.24
MLOGP
2.85
XLogP3
2.6
Consensus LogP
2.9
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.05
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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L-Alanine, N-[(phenylmethoxy)carbonyl]-, 2-oxo-2-phenylethyl ester
- CAS RN: 6530-41-2
- Product Code: starshine_CAS6530-41-2
- Purity/Analytical method: >99.0%
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![CAS 6530-41-2 L-Alanine, N-[(phenylmethoxy)carbonyl]-, 2-oxo-2-phenylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/6530-41-2.gif)
