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CAS 102653-68-9 3-BROMO-6-METHYLCHROMONE molecular structure lightbox
CAS RN: 102653-68-9

3-BROMO-6-METHYLCHROMONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260420 5g Out of stock 15 business days Inquiry
  • Product code: SSC-003930
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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 102653-68-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

102653-68-9 / 3-bromo-6-methylchromen-4-one

3-bromo-6-methylchromone | 3-bromo-6-methyl-4H-chromen-4-one | 3-bromo-6-methylchromen-4-one

Standard CAS: 102653-68-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
102653-68-9
Multi CAS
Yes
Molecular Formula
C10H7BrO2
Molecular Weight
239.060000
Exact Mass
237.962940
SMILES
CC1=CC2=C(C=C1)OC=C(C2=O)Br
InChI
InChI=1S/C10H7BrO2/c1-6-2-3-9-7(4-6)10(12)8(11)5-13-9/h2-5H,1H3
InChIKey
MSGSIDWZOPALIZ-UHFFFAOYSA-N
Synonyms
3-bromo-6-methylchromone 3-bromo-6-methyl-4H-chromen-4-one 3-bromo-6-methylchromen-4-one 4H-1-Benzopyran-4-one,3-bromo-6-methyl- MFCD02683786

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
2
Molar refractivity
54.92
TPSA
30.21

LogP / Solubility

WLOGP
2.86
MLOGP
2.52
XLogP3
2.8
Consensus LogP
2.73
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.14

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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