![CAS 143322-56-9 (R)-5-BROMO-3-[(1-METHYL-2-PYRROLIDINYL)METHYL]-1H-INDOLE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/143322-56-9.gif)
CAS RN: 143322-56-9
(R)-5-BROMO-3-[(1-METHYL-2-PYRROLIDINYL)METHYL]-1H-INDOLE
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.20250628 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS143322-56-9
- Purity/Analytical Methods: >99.0%
143322-56-9 / benzyl (2R)-2-(5-bromo-1H-indole-3-carbonyl)pyrrolidine-1-carboxylate
Basic Information
CAS
143322-56-9
Multi CAS
No
Molecular Formula
C21H19BrN2O3
Molecular Weight
427.300000
Exact Mass
426.057910
SMILES
C1C[C@@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)C3=CNC4=C3C=C(C=C4)Br
InChI
InChI=1S/C21H19BrN2O3/c22-15-8-9-18-16(11-15)17(12-23-18)20(25)19-7-4-10-24(19)21(26)27-13-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,19,23H,4,7,10,13H2/t19-/m1/s1
InChIKey
CWHKVBJSRGJFFN-LJQANCHMSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
15
Fraction Csp3
0.24
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
106.68
TPSA
62.4
LogP / Solubility
WLOGP
4.91
MLOGP
4.35
XLogP3
4.4
Consensus LogP
4.55
Log S (ESOL)
-5.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.61
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
(R)-5-Bromo-3-((1-methylpyrrolidin-2-yl)methyl)-1H-indole
- CAS RN: 143322-57-0
- Product Code: SSC-054716
-
Cyclopentanecarbonitrile, 1-(2-chlorophenyl)-
- CAS RN: 143328-15-8
- Product Code: SSC-054717
-
1-(3-CHLOROPHENYL)-1-CYCLOPENTANECARBONITRILE
- CAS RN: 143328-16-9
- Product Code: SSC-054718
-
Cyclopentanecarbonitrile, 1-(3-bromophenyl)-
- CAS RN: 143328-18-1
- Product Code: SSC-054720
-
1-(4-bromophenyl)cyclopentanecarbonitrile(SALTDATA: FREE)
- CAS RN: 143328-19-2
- Product Code: SSC-054721
-
1-(3-CHLOROPHENYL)CYCLOPENTANECARBOXYLIC ACID
- CAS RN: 143328-21-6
- Product Code: SSC-054723
