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CAS 1199782-67-6 5-Bromo-4-chromanone molecular structure lightbox
CAS RN: 1199782-67-6

5-Bromo-4-chromanone

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260527 100mg In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20250505 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batchno.20251121 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250717 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20251007 5g In stock Shanghai Inquiry
  • Product code: SSC-020742
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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 1199782-67-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1199782-67-6 / 5-bromo-2,3-dihydrochromen-4-one

5-Bromo-4-Chromanone | 5-Bromochroman-4-one | 5-bromo-2,3-dihydrochromen-4-one

Standard CAS: 1199782-67-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1199782-67-6
Multi CAS
No
Molecular Formula
C9H7BrO2
Molecular Weight
227.050000
Exact Mass
225.962940
SMILES
C1COC2=C(C1=O)C(=CC=C2)Br
InChI
InChI=1S/C9H7BrO2/c10-6-2-1-3-8-9(6)7(11)4-5-12-8/h1-3H,4-5H2
InChIKey
ZZWQBLPTSSWLPE-UHFFFAOYSA-N
Synonyms
5-Bromo-4-Chromanone 5-Bromochroman-4-one 5-bromo-2,3-dihydrochromen-4-one MFCD09744050 4H-1-Benzopyran-4-one, 5-bromo-2,3-dihydro-

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
H-bond acceptors
2
Molar refractivity
48.58
TPSA
26.3

LogP / Solubility

WLOGP
2.41
MLOGP
2.13
XLogP3
2.1
Consensus LogP
2.21
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.14
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)
-2.39

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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