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CAS 1026982-77-3 8-bromo-6-methyl-3,4-dihydro-2H-1-benzopyran-4-one molecular structure lightbox
CAS RN: 1026982-77-3

8-bromo-6-methyl-3,4-dihydro-2H-1-benzopyran-4-one

Product Availability

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250526 1g In stock Shenzhen, Chengdu Inquiry
Batchno.20250911 250mg In stock Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20251213 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20260201 5g Out of stock Inquiry
  • Product code: SSC-004012
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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 1026982-77-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1026982-77-3 / 8-bromo-6-methyl-2,3-dihydrochromen-4-one

8-bromo-6-methyl-3,4-dihydro-2H-1-benzopyran-4-one | MFCD11104775 | 8-bromo-6-methyl-2,3-dihydrochromen-4-one

Standard CAS: 1026982-77-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1026982-77-3
Multi CAS
No
Molecular Formula
C10H9BrO2
Molecular Weight
241.080000
Exact Mass
239.978590
SMILES
CC1=CC2=C(C(=C1)Br)OCCC2=O
InChI
InChI=1S/C10H9BrO2/c1-6-4-7-9(12)2-3-13-10(7)8(11)5-6/h4-5H,2-3H2,1H3
InChIKey
UXJVBNRUWGNFAQ-UHFFFAOYSA-N
Synonyms
8-bromo-6-methyl-3,4-dihydro-2H-1-benzopyran-4-one MFCD11104775 8-bromo-6-methyl-2,3-dihydrochromen-4-one 8-bromo-6-methyl-chroman-4-one 8-Bromo-6-methylchroman-4-one

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
2
Molar refractivity
53.32
TPSA
26.3

LogP / Solubility

WLOGP
2.72
MLOGP
2.4
XLogP3
2.4
Consensus LogP
2.51
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
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)
-2.26

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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