CAS RN: 127119-07-7
1-Boc-Benzimidazole
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.20260329 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS127119-07-7
- Purity/Analytical Methods: >99.0%
127119-07-7 / tert-butyl benzimidazole-1-carboxylate
Basic Information
CAS
127119-07-7
Multi CAS
No
Molecular Formula
C12H14N2O2
Molecular Weight
218.250000
Exact Mass
218.105528
SMILES
CC(C)(C)OC(=O)N1C=NC2=CC=CC=C21
InChI
InChI=1S/C12H14N2O2/c1-12(2,3)16-11(15)14-8-13-9-6-4-5-7-10(9)14/h4-8H,1-3H3
InChIKey
CROWJIMGVQLMPG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
61.37
TPSA
44.12
LogP / Solubility
WLOGP
2.82
MLOGP
2.48
XLogP3
2.7
Consensus LogP
2.67
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
Class (SILICOS-IT)
Poorly 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)
-2.05
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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