![CAS 223595-15-1 1-PROPANONE, 1-[(1R)-5-BROMO-1,3-DIHYDRO-1-METHYL-2H-ISOINDOL-2-YL]-2,2-DIMETHYL- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/223595-15-1.gif)
CAS RN: 223595-15-1
1-PROPANONE, 1-[(1R)-5-BROMO-1,3-DIHYDRO-1-METHYL-2H-ISOINDOL-2-YL]-2,2-DIMETHYL-
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.20250831 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS223595-15-1
- Purity/Analytical Methods: >99.0%
223595-15-1 / 1-[(1R)-5-bromo-1-methyl-1,3-dihydroisoindol-2-yl]-2,2-dimethylpropan-1-one
Basic Information
CAS
223595-15-1
Multi CAS
No
Molecular Formula
C14H18BrNO
Molecular Weight
296.200000
Exact Mass
295.057180
SMILES
C[C@@H]1C2=C(CN1C(=O)C(C)(C)C)C=C(C=C2)Br
InChI
InChI=1S/C14H18BrNO/c1-9-12-6-5-11(15)7-10(12)8-16(9)13(17)14(2,3)4/h5-7,9H,8H2,1-4H3/t9-/m1/s1
InChIKey
KWHZYHLFMXRMKD-SECBINFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
72.56
TPSA
20.31
LogP / Solubility
WLOGP
3.9
MLOGP
3.44
XLogP3
3.3
Consensus LogP
3.55
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.82
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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