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CAS 100831-25-2 7-Bromo-1-methyl-1,3-dihydro-indol-2-one molecular structure lightbox
CAS RN: 100831-25-2

7-Bromo-1-methyl-1,3-dihydro-indol-2-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250912 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-001559
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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: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 100831-25-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

100831-25-2 / 7-bromo-1-methyl-3H-indol-2-one

7-BROMO-1-METHYLINDOLIN-2-ONE | 7-Bromo-1-methyl-2,3-dihydro-1H-indol-2-one | 7-bromo-1-methyl-indolin-2-one

Standard CAS: 100831-25-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
100831-25-2
Multi CAS
No
Molecular Formula
C9H8BrNO
Molecular Weight
226.070000
Exact Mass
224.978930
SMILES
CN1C(=O)CC2=C1C(=CC=C2)Br
InChI
InChI=1S/C9H8BrNO/c1-11-8(12)5-6-3-2-4-7(10)9(6)11/h2-4H,5H2,1H3
InChIKey
IJTCWHCJVADLDZ-UHFFFAOYSA-N
Synonyms
7-BROMO-1-METHYLINDOLIN-2-ONE 7-Bromo-1-methyl-2,3-dihydro-1H-indol-2-one 7-bromo-1-methyl-indolin-2-one MFCD25542210 7-bromo-1-methyl-3H-indol-2-one

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
H-bond acceptors
1
Molar refractivity
51.26
TPSA
20.31

LogP / Solubility

WLOGP
1.97
MLOGP
1.73
XLogP3
1.6
Consensus LogP
1.77
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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