![CAS 1025424-03-6 1H-Isoindole, 2,3-dihydro-4-Methoxy-2-[(4-Methylphenyl)sulfonyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1025424-03-6.gif)
CAS RN: 1025424-03-6
1H-Isoindole, 2,3-dihydro-4-Methoxy-2-[(4-Methylphenyl)sulfonyl]-
- Product code: SSC-003786
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1025424-03-6 / 4-methoxy-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole
4-Methoxy-2-tosylisoindoline | 1H-Isoindole, 2,3-dihydro-4-methoxy-2-[(4-methylphenyl)sulfonyl]- | MFCD28101741
Basic Information
CAS
1025424-03-6
Multi CAS
No
Molecular Formula
C16H17NO3S
Molecular Weight
303.400000
Exact Mass
303.092915
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C2)C(=CC=C3)OC
InChI
InChI=1S/C16H17NO3S/c1-12-6-8-14(9-7-12)21(18,19)17-10-13-4-3-5-16(20-2)15(13)11-17/h3-9H,10-11H2,1-2H3
InChIKey
WUZKAVFZTPKEOZ-UHFFFAOYSA-N
Synonyms
4-Methoxy-2-tosylisoindoline
1H-Isoindole, 2,3-dihydro-4-methoxy-2-[(4-methylphenyl)sulfonyl]-
MFCD28101741
4-methoxy-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole
AKOS024262496
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
80.61
TPSA
46.61
LogP / Solubility
WLOGP
2.71
MLOGP
2.4
XLogP3
2.5
Consensus LogP
2.54
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.24
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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