![CAS 148642-42-6 N-[4-Methoxy-3-(4-methyl-1-piperazinyl)phenyl]-2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,1-biphenyl-4-carboxamide hydrate hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/148642-42-6.gif)
CAS RN: 148642-42-6
N-[4-Methoxy-3-(4-methyl-1-piperazinyl)phenyl]-2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,1-biphenyl-4-carboxamide hydrate hydrochloride
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.20251025 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS148642-42-6
- Purity/Analytical Methods: >99.0%
148642-42-6 / N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide;hydrochloride
Basic Information
CAS
148642-42-6
Multi CAS
No
Molecular Formula
C29H32ClN5O3
Molecular Weight
534.000000
Exact Mass
533.219368
SMILES
CC1=C(C=CC(=C1)C2=NOC(=N2)C)C3=CC=C(C=C3)C(=O)NC4=CC(=C(C=C4)OC)N5CCN(CC5)C.Cl
InChI
InChI=1S/C29H31N5O3.ClH/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34;/h5-12,17-18H,13-16H2,1-4H3,(H,31,35);1H
InChIKey
SRVVUYIJVBLEJI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
23
Fraction Csp3
0.28
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
1
Molar refractivity
152.55
TPSA
83.73
LogP / Solubility
WLOGP
5.45
MLOGP
4.84
XLogP3
5.45
Consensus LogP
5.25
Log S (ESOL)
-6.64
Class (ESOL)
Insoluble
Log S (Ali)
-7.88
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.38
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-2.1
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
5
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