CAS RN: 6299-93-0
NSC45056
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.20260219 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS6299-93-0
- Purity/Analytical Methods: >99.0%
6299-93-0 / 2-methylbenzimidazol-1-amine
Basic Information
CAS
6299-93-0
Multi CAS
Yes
Molecular Formula
C8H9N3
Molecular Weight
147.180000
Exact Mass
147.079647
InChI
InChI=1S/C8H9N3/c1-6-10-7-4-2-3-5-8(7)11(6)9/h2-5H,9H2,1H3
InChIKey
LUEUYMSSSQJYBN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.62
TPSA
43.84
LogP / Solubility
WLOGP
1.06
MLOGP
0.93
XLogP3
1.6
Consensus LogP
1.2
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.5
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.87
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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