![CAS 893422-47-4 3-Phenyl-2-[4-[[4-[5-(2-pyridinyl)-1H-1,2,4-triazol-3-yl]-1-piperidinyl]methyl]phenyl]-1,6-Naphthyridin-5(6H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/893422-47-4.gif)
CAS RN: 893422-47-4
3-Phenyl-2-[4-[[4-[5-(2-pyridinyl)-1H-1,2,4-triazol-3-yl]-1-piperidinyl]methyl]phenyl]-1,6-Naphthyridin-5(6H)-one
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.20251216 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS893422-47-4
- Purity/Analytical Methods: >99.0%
893422-47-4 / 3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-6H-1,6-naphthyridin-5-one
Basic Information
CAS
893422-47-4
Multi CAS
Yes
Molecular Formula
C33H29N7O
Molecular Weight
539.600000
Exact Mass
539.243359
InChI
InChI=1S/C33H29N7O/c41-33-27-20-26(23-6-2-1-3-7-23)30(36-28(27)13-17-35-33)24-11-9-22(10-12-24)21-40-18-14-25(15-19-40)31-37-32(39-38-31)29-8-4-5-16-34-29/h1-13,16-17,20,25H,14-15,18-19,21H2,(H,35,41)(H,37,38,39)
InChIKey
BTUWHHFNOHVCMQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
33
Fraction Csp3
0.18
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
2
Molar refractivity
160.1
TPSA
103.45
LogP / Solubility
WLOGP
5.82
MLOGP
5.16
XLogP3
4.4
Consensus LogP
5.13
Log S (ESOL)
-7.05
Class (ESOL)
Insoluble
Log S (Ali)
-8.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.72
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.88
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
6
Customers Also Viewed
-
![CAS 893423-62-6 N-[2-Chloro-3-formyl-4-pyridinyl]carbamic acid tert-butyl ester molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
N-[2-Chloro-3-formyl-4-pyridinyl]carbamic acid tert-butyl ester
- CAS RN: 893423-62-6
- Product Code: SSC-201240
-
6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)indolin-2-one
- CAS RN: 893441-85-5
- Product Code: SSC-201243
-
-
3-Nitro-6-(trifluoromethyl)pyridin-2-amine
- CAS RN: 893444-21-8
- Product Code: starshine_CAS893444-21-8
- Purity/Analytical method: >99.0%
-
4-chloro-5,6-dihydropyrido[2,3-d]pyrimidin-7(8H)-one
- CAS RN: 893444-36-5
- Product Code: starshine_CAS893444-36-5
- Purity/Analytical method: >99.0%
-
5-Chloro-3-methyl-1,2,3,4-tetrahydropyrimido[4,5-d]pyrimidin-2-one
- CAS RN: 893444-55-8
- Product Code: SSC-201247
![CAS 893423-62-6 N-[2-Chloro-3-formyl-4-pyridinyl]carbamic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/893423-62-6.gif)
![CAS 893444-36-5 4-chloro-5,6-dihydropyrido[2,3-d]pyrimidin-7(8H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/893444-36-5.gif)
![CAS 893444-55-8 5-Chloro-3-methyl-1,2,3,4-tetrahydropyrimido[4,5-d]pyrimidin-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/893444-55-8.gif)