CAS RN: 90349-17-0
5-Benzimidazolecarboxylicacid,2-amino-1-methyl-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251025 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS90349-17-0
- Purity/Analytical Methods: >99.0%
90349-17-0 / 2-amino-1-methylbenzimidazole-5-carboxylic acid
Basic Information
CAS
90349-17-0
Multi CAS
No
Molecular Formula
C9H9N3O2
Molecular Weight
191.190000
Exact Mass
191.069477
InChI
InChI=1S/C9H9N3O2/c1-12-7-3-2-5(8(13)14)4-6(7)11-9(12)10/h2-4H,1H3,(H2,10,11)(H,13,14)
InChIKey
GEOAVGNNHULOSU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
52.09
TPSA
81.14
LogP / Solubility
WLOGP
0.85
MLOGP
0.75
XLogP3
1
Consensus LogP
0.87
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.73
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.28
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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