CAS RN: 177843-27-5
1H-Benzimidazol-5-amine,1-propyl-(9CI)
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.20260109 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS177843-27-5
- Purity/Analytical Methods: >99.0%
177843-27-5 / 1-propylbenzimidazol-5-amine
Basic Information
CAS
177843-27-5
Multi CAS
No
Molecular Formula
C10H13N3
Molecular Weight
175.230000
Exact Mass
175.110947
SMILES
CCCN1C=NC2=C1C=CC(=C2)N
InChI
InChI=1S/C10H13N3/c1-2-5-13-7-12-9-6-8(11)3-4-10(9)13/h3-4,6-7H,2,5,11H2,1H3
InChIKey
ZGJUWPDHPVBCIX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.44
TPSA
43.84
LogP / Solubility
WLOGP
2.03
MLOGP
1.78
XLogP3
1.6
Consensus LogP
1.8
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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