![CAS 2415337-01-6 Spiro[9H-fluorene-9,2′-tricyclo[3.3.1.13,7]decane], 4-bromo- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2415337-01-6.gif)
CAS RN: 2415337-01-6
Spiro[9H-fluorene-9,2′-tricyclo[3.3.1.13,7]decane], 4-bromo-
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
- Product code: starshine_CAS2415337-01-6
- Purity/Analytical Methods: >99.0%
2415337-01-6 / 4'-bromospiro[adamantane-2,9'-fluorene]
Basic Information
CAS
2415337-01-6
Multi CAS
No
Molecular Formula
C22H21Br
Molecular Weight
365.300000
Exact Mass
364.082660
SMILES
C1C2CC3CC1CC(C2)C34C5=C(C6=CC=CC=C46)C(=CC=C5)Br
InChI
InChI=1S/C22H21Br/c23-20-7-3-6-19-21(20)17-4-1-2-5-18(17)22(19)15-9-13-8-14(11-15)12-16(22)10-13/h1-7,13-16H,8-12H2
InChIKey
QGQSZWNWWFSYMK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.45
Molar refractivity
97.4
TPSA
0.0000
LogP / Solubility
WLOGP
6.17
MLOGP
5.45
XLogP3
7.1
Consensus LogP
6.24
Log S (ESOL)
-6.38
Class (ESOL)
Insoluble
Log S (Ali)
-7.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.16
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
9.5
Customers Also Viewed
-
(S)-tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate
- CAS RN: 2415515-29-4
- Product Code: SSC-117943
-
INDEX NAME NOT YET ASSIGNED
- CAS RN: 2415751-83-4
- Product Code: starshine_CAS2415751-83-4
- Purity/Analytical method: >99.0%
-
1H-Benzimidazole, 2-ethyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]
- CAS RN: 2415827-15-3
- Product Code: SSC-117957
-
INDEX NAME NOT YET ASSIGNED
- CAS RN: 2415867-40-0
- Product Code: starshine_CAS2415867-40-0
- Purity/Analytical method: >99.0%
-
N-Fmoc-4-methyl-D-tryptophan
- CAS RN: 2415937-11-8
- Product Code: starshine_CAS2415937-11-8
- Purity/Analytical method: >99.0%
-
4-iodobenzoyl fluoride
- CAS RN: 2415937-32-3
- Product Code: starshine_CAS2415937-32-3
- Purity/Analytical method: >99.0%
![CAS 2415827-15-3 1H-Benzimidazole, 2-ethyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2415827-15-3.gif)
