CAS RN: 299927-11-0
Methyl 1-benzyl-2-Methyl-1,3-benzodiazole-5-carboxylate
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.20250629 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS299927-11-0
- Purity/Analytical Methods: >99.0%
299927-11-0 / methyl 1-benzyl-2-methylbenzimidazole-5-carboxylate
Basic Information
CAS
299927-11-0
Multi CAS
No
Molecular Formula
C17H16N2O2
Molecular Weight
280.320000
Exact Mass
280.121178
InChI
InChI=1S/C17H16N2O2/c1-12-18-15-10-14(17(20)21-2)8-9-16(15)19(12)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKey
MZPJCRTZEVZGHI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
81.35
TPSA
44.12
LogP / Solubility
WLOGP
3.18
MLOGP
2.81
XLogP3
3.3
Consensus LogP
3.1
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
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)
-2.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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