![CAS 1303609-36-0 Spiro[3H-indole-3,3′-pyrrolidine]-5′-carboxaMide, 6-chloro-4′-(3-chloro-2-fluorophenyl)-2′-(2,2-diMethylpropyl)-1,2-dihydro-N-(trans-4-hydroxycyclohexyl)-1′-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]-2-oxo-, (2’R,3S,4’S,5’R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1303609-36-0.gif)
CAS RN: 1303609-36-0
Spiro[3H-indole-3,3′-pyrrolidine]-5′-carboxaMide, 6-chloro-4′-(3-chloro-2-fluorophenyl)-2′-(2,2-diMethylpropyl)-1,2-dihydro-N-(trans-4-hydroxycyclohexyl)-1′-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]-2-oxo-, (2’R,3S,4’S,5’R)-
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.20251002 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1303609-36-0
- Purity/Analytical Methods: >99.0%
1303609-36-0 / (2'R,3S,3'S,5'R)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-N-(4-hydroxycyclohexyl)-1'-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
Basic Information
CAS
1303609-36-0
Multi CAS
No
Molecular Formula
C43H46Cl2FN3O4
Molecular Weight
758.700000
Exact Mass
757.284941
SMILES
CC(C)(C)C[C@@H]1[C@]2([C@H]([C@@H](N1[C@H](C3=CC=CC=C3)[C@H](C4=CC=CC=C4)O)C(=O)NC5CCC(CC5)O)C6=C(C(=CC=C6)Cl)F)C7=C(C=C(C=C7)Cl)NC2=O
InChI
InChI=1S/C43H46Cl2FN3O4/c1-42(2,3)24-34-43(31-22-17-27(44)23-33(31)48-41(43)53)35(30-15-10-16-32(45)36(30)46)38(40(52)47-28-18-20-29(50)21-19-28)49(34)37(25-11-6-4-7-12-25)39(51)26-13-8-5-9-14-26/h4-17,22-23,28-29,34-35,37-39,50-51H,18-21,24H2,1-3H3,(H,47,52)(H,48,53)/t28?,29?,34-,35+,37-,38-,39+,43+/m1/s1
InChIKey
RMDLCHAGVUSJTL-ZNOBKSOISA-N
Computed Properties
Structural Parameters
Heavy atom count
53
Aromatic heavy atom count
24
Fraction Csp3
0.4
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
4
Molar refractivity
206.39
TPSA
101.9
LogP / Solubility
WLOGP
8.49
MLOGP
7.54
XLogP3
8.1
Consensus LogP
8.04
Log S (ESOL)
-9.7
Class (ESOL)
Insoluble
Log S (Ali)
-11.91
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.6
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.32
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10
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