![CAS 1227067-61-9 1-[4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1227067-61-9.gif)
CAS RN: 1227067-61-9
1-[4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanone
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.20250830 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1227067-61-9
- Purity/Analytical Methods: >99.0%
1227067-61-9 / 1-[4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanone
Basic Information
CAS
1227067-61-9
Multi CAS
No
Molecular Formula
C25H23N5O3
Molecular Weight
441.500000
Exact Mass
441.180090
SMILES
CC(=O)N1CCC(CC1)C2=NC=CN=C2OC3=CC=C(C=C3)C(=O)C4=NC5=CC=CC=C5N4
InChI
InChI=1S/C25H23N5O3/c1-16(31)30-14-10-17(11-15-30)22-25(27-13-12-26-22)33-19-8-6-18(7-9-19)23(32)24-28-20-4-2-3-5-21(20)29-24/h2-9,12-13,17H,10-11,14-15H2,1H3,(H,28,29)
InChIKey
ZNPDAYJZIRPRFQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
21
Fraction Csp3
0.24
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
122.3
TPSA
101.07
LogP / Solubility
WLOGP
4.1
MLOGP
3.64
XLogP3
3
Consensus LogP
3.58
Log S (ESOL)
-5.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.53
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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