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CAS 1003048-74-5 7-Bromo-5-methoxy-indan-1-one molecular structure lightbox
CAS RN: 1003048-74-5

7-Bromo-5-methoxy-indan-1-one

Product Availability

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250709 100mg Out of stock Inquiry
Batchno.20250419 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20260224 250mg Out of stock Inquiry
  • Product code: SSC-000807
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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 1003048-74-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1003048-74-5 / 7-bromo-5-methoxy-2,3-dihydroinden-1-one

7-Bromo-5-methoxy-2,3-dihydro-1H-inden-1-one | 7-bromo-5-methoxy-1-indanone | 1H-Inden-1-one, 7-bromo-2,3-dihydro-5-methoxy-

Standard CAS: 1003048-74-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1003048-74-5
Multi CAS
No
Molecular Formula
C10H9BrO2
Molecular Weight
241.080000
Exact Mass
239.978590
SMILES
COC1=CC2=C(C(=O)CC2)C(=C1)Br
InChI
InChI=1S/C10H9BrO2/c1-13-7-4-6-2-3-9(12)10(6)8(11)5-7/h4-5H,2-3H2,1H3
InChIKey
OZDYYVZUHUNFCS-UHFFFAOYSA-N
Synonyms
7-Bromo-5-methoxy-2,3-dihydro-1H-inden-1-one 7-bromo-5-methoxy-1-indanone 1H-Inden-1-one, 7-bromo-2,3-dihydro-5-methoxy- MFCD09908163 7-bromo-5-methoxy-2,3-dihydroinden-1-one

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
53.35
TPSA
26.3

LogP / Solubility

WLOGP
2.59
MLOGP
2.28
XLogP3
2.3
Consensus LogP
2.39
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
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)
-2.35

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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