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CAS 1071727-49-5 6-Bromo-7-methyl-indan-1-one molecular structure lightbox
CAS RN: 1071727-49-5

6-Bromo-7-methyl-indan-1-one

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250607 100mg In stock Shanghai Inquiry
Batchno.20250204 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250108 1g In stock Shanghai Inquiry
Batchno.20250106 250mg In stock Shanghai Inquiry
  • Product code: SSC-008634
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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: 0.25g
  • 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 1071727-49-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1071727-49-5 / 6-bromo-7-methyl-2,3-dihydroinden-1-one

6-Bromo-7-methyl-2,3-dihydro-1H-inden-1-one | 6-Bromo-7-methyl-indan-1-one | MFCD20462199

Standard CAS: 1071727-49-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1071727-49-5
Multi CAS
No
Molecular Formula
C10H9BrO
Molecular Weight
225.080000
Exact Mass
223.983680
SMILES
CC1=C(C=CC2=C1C(=O)CC2)Br
InChI
InChI=1S/C10H9BrO/c1-6-8(11)4-2-7-3-5-9(12)10(6)7/h2,4H,3,5H2,1H3
InChIKey
VYCICRIMTRDJBO-UHFFFAOYSA-N
Synonyms
6-Bromo-7-methyl-2,3-dihydro-1H-inden-1-one 6-Bromo-7-methyl-indan-1-one MFCD20462199 6-bromo-7-methyl-2,3-dihydroinden-1-one 6-bromo-7-methyl-1-indanone

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
1
Molar refractivity
51.53
TPSA
17.07

LogP / Solubility

WLOGP
2.89
MLOGP
2.54
XLogP3
2.7
Consensus LogP
2.71
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
Class (SILICOS-IT)
Poorly 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)
-2.04

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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