CAS RN: 1258640-98-0
Tert-Butyl 2-Carbamimidoylpiperidine-1-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.20260206 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1258640-98-0
- Purity/Analytical Methods: >99.0%
1258640-98-0 / tert-butyl 2-carbamimidoylpiperidine-1-carboxylate
Basic Information
CAS
1258640-98-0
Multi CAS
No
Molecular Formula
C11H21N3O2
Molecular Weight
227.300000
Exact Mass
227.163377
SMILES
CC(C)(C)OC(=O)N1CCCCC1C(=N)N
InChI
InChI=1S/C11H21N3O2/c1-11(2,3)16-10(15)14-7-5-4-6-8(14)9(12)13/h8H,4-7H2,1-3H3,(H3,12,13)
InChIKey
PKSOIBWMODHYAE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
62.49
TPSA
79.41
LogP / Solubility
WLOGP
1.71
MLOGP
1.51
XLogP3
1
Consensus LogP
1.41
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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