![CAS 876589-26-3 tert-Butyl 4-(2-(aminomethyl)-1H-benzo[d]imidazol-1-yl)piperidine-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/876589-26-3.gif)
CAS RN: 876589-26-3
tert-Butyl 4-(2-(aminomethyl)-1H-benzo[d]imidazol-1-yl)piperidine-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.20251219 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS876589-26-3
- Purity/Analytical Methods: >99.0%
876589-26-3 / tert-butyl 4-[2-(aminomethyl)benzimidazol-1-yl]piperidine-1-carboxylate
Basic Information
CAS
876589-26-3
Multi CAS
No
Molecular Formula
C18H26N4O2
Molecular Weight
330.400000
Exact Mass
330.205576
InChI
InChI=1S/C18H26N4O2/c1-18(2,3)24-17(23)21-10-8-13(9-11-21)22-15-7-5-4-6-14(15)20-16(22)12-19/h4-7,13H,8-12,19H2,1-3H3
InChIKey
OWKWWQODAREHPW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
9
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
93.7
TPSA
73.38
LogP / Solubility
WLOGP
3.07
MLOGP
2.71
XLogP3
1.7
Consensus LogP
2.49
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.59
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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![CAS 876608-69-4 (aR,aR)-2,2′-Bis(a-N,N-diMethylaMinophenylMethyl)-(S,S)-1,1′-bis[di-(3,5-diMethyl-4-Methoxyphenyl)-phosphino]-ferrocene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/876608-69-4.gif)
