CAS RN: 2357108-99-5
AM-Imidazole-PA-Boc
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.20250501 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2357108-99-5
- Purity/Analytical Methods: >99.0%
2357108-99-5 / tert-butyl N-[3-[4-(aminomethyl)imidazol-1-yl]propyl]carbamate
Basic Information
CAS
2357108-99-5
Multi CAS
No
Molecular Formula
C12H22N4O2
Molecular Weight
254.330000
Exact Mass
254.174276
SMILES
CC(C)(C)OC(=O)NCCCN1C=C(N=C1)CN
InChI
InChI=1S/C12H22N4O2/c1-12(2,3)18-11(17)14-5-4-6-16-8-10(7-13)15-9-16/h8-9H,4-7,13H2,1-3H3,(H,14,17)
InChIKey
BQENGFIYJNRYFS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
68.97
TPSA
82.17
LogP / Solubility
WLOGP
1.26
MLOGP
1.11
XLogP3
-0.1
Consensus LogP
0.76
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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