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CAS 681246-49-1 6-amino-7-bromo-2,3-dihydro-1H-inden-1-one molecular structure lightbox
CAS RN: 681246-49-1

6-amino-7-bromo-2,3-dihydro-1H-inden-1-one

Product Availability

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250222 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260218 100mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250617 1g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250918 250mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20260226 5g In stock Shanghai Inquiry
  • Product code: SSC-177847
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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: ≥95%
  • 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 681246-49-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

681246-49-1 / 6-amino-7-bromo-2,3-dihydroinden-1-one

Standard CAS: 681246-49-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
681246-49-1
Multi CAS
No
Molecular Formula
BC9H8ORn
Molecular Weight
226.070000
Exact Mass
224.978930
InChI
InChI=1S/C9H8BrNO/c10-9-6(11)3-1-5-2-4-7(12)8(5)9/h1,3H,2,4,11H2
InChIKey
VMRJYVAAFYLRCR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.21
TPSA
43.09

LogP / Solubility

WLOGP
2.16
MLOGP
1.9
XLogP3
1.7
Consensus LogP
1.92
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
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)
-2.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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