![CAS 180083-23-2 1′-METHYL-5-[[2′-METHYL-4′-(5-METHYL-1,2,4-OXADIAZOL-3-YL)BIPHENYL-4-YL]CARBONYL]-2,3,6,7-TETRAHYDROSPIRO[FURO[2,3-F]INDOLE]-3,4′-PIPERIDINE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/180083-23-2.gif)
CAS RN: 180083-23-2
1′-METHYL-5-[[2′-METHYL-4′-(5-METHYL-1,2,4-OXADIAZOL-3-YL)BIPHENYL-4-YL]CARBONYL]-2,3,6,7-TETRAHYDROSPIRO[FURO[2,3-F]INDOLE]-3,4′-PIPERIDINE 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.20250614 | 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS180083-23-2
- Purity/Analytical Methods: >99.0%
180083-23-2 / [4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone
Basic Information
CAS
180083-23-2
Multi CAS
No
Molecular Formula
C32H32N4O3
Molecular Weight
520.600000
Exact Mass
520.247441
SMILES
CC1=C(C=CC(=C1)C2=NOC(=N2)C)C3=CC=C(C=C3)C(=O)N4CCC5=CC6=C(C=C54)C7(CCN(CC7)C)CO6
InChI
InChI=1S/C32H32N4O3/c1-20-16-25(30-33-21(2)39-34-30)8-9-26(20)22-4-6-23(7-5-22)31(37)36-13-10-24-17-29-27(18-28(24)36)32(19-38-29)11-14-35(3)15-12-32/h4-9,16-18H,10-15,19H2,1-3H3
InChIKey
ATQMRMGXINTJHV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
23
Fraction Csp3
0.34
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
150.37
TPSA
71.7
LogP / Solubility
WLOGP
5.58
MLOGP
4.95
XLogP3
5.6
Consensus LogP
5.38
Log S (ESOL)
-6.82
Class (ESOL)
Insoluble
Log S (Ali)
-7.86
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.03
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.93
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
7
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