.gif)
CAS RN: 1399177-37-7
4-(1-(4-cyclobutyl-2-methyl-5-(5-methyl-4H-1,2,4-triazol-3-yl)benzoyl)piperidin-4-yl)benzonitrile
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251101 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250908 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250630 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20251224 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250922 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260513 | 50mg | In stock | Shenzhen | Inquiry |
| Batchno.20260223 | 5mg | In stock | Shanghai | Inquiry |
| Batchno.20250717 | 5mg / 10mg / 50mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1399177-37-7
- Purity/Analytical Methods: >99.0%
1399177-37-7 / 4-[1-[4-cyclobutyl-2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)benzoyl]piperidin-4-yl]benzonitrile
Basic Information
CAS
1399177-37-7
Multi CAS
No
Molecular Formula
C27H29N5O
Molecular Weight
439.600000
Exact Mass
439.237211
SMILES
CC1=CC(=C(C=C1C(=O)N2CCC(CC2)C3=CC=C(C=C3)C#N)C4=NNC(=N4)C)C5CCC5
InChI
InChI=1S/C27H29N5O/c1-17-14-24(22-4-3-5-22)25(26-29-18(2)30-31-26)15-23(17)27(33)32-12-10-21(11-13-32)20-8-6-19(16-28)7-9-20/h6-9,14-15,21-22H,3-5,10-13H2,1-2H3,(H,29,30,31)
InChIKey
BBGOSBDSLYHMRA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
17
Fraction Csp3
0.41
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
126.92
TPSA
85.67
LogP / Solubility
WLOGP
5.25
MLOGP
4.65
XLogP3
5.3
Consensus LogP
5.07
Log S (ESOL)
-5.99
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.95
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.35
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)
-1.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
-
-
3-Bromo-1-methyl-1H-pyrazole-4-carboxylic acid
- CAS RN: 1399653-86-1
- Product Code: SSC-050433
-
5′-Nitro-1′,2′-dihydrospiro[cyclopropane-1,3′-indole]-2′-one
- CAS RN: 1399654-82-0
- Product Code: SSC-050434
-
5′-amino-1′,2′-dihydrospiro[cyclopropane-1,3′-indole]-2′-one
- CAS RN: 1399663-06-9
- Product Code: starshine_CAS1399663-06-9
- Purity/Analytical method: >99.0%
-
1,4-Benzenedicarboxaldehyde, 2,5-bis(methylthio)-
- CAS RN: 1399690-77-7
- Product Code: starshine_CAS1399690-77-7
- Purity/Analytical method: >99.0%
.gif)
.gif)
.gif)
![CAS 1399654-82-0 5′-Nitro-1′,2′-dihydrospiro[cyclopropane-1,3′-indole]-2′-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1399654-82-0(2).gif)
![CAS 1399663-06-9 5′-amino-1′,2′-dihydrospiro[cyclopropane-1,3′-indole]-2′-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1399663-06-9(2).gif)
.gif)