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CAS 1154740-66-5 6-Bromo-5-chloro-4H-benzo[1,4]oxazin-3-one molecular structure lightbox
CAS RN: 1154740-66-5

6-Bromo-5-chloro-4H-benzo[1,4]oxazin-3-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250327 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-015228
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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 1154740-66-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

1154740-66-5 / 6-bromo-5-chloro-4H-1,4-benzoxazin-3-one

6-bromo-5-chloro-3,4-dihydro-2H-1,4-benzoxazin-3-one | RefChem:541056 | 886-302-0

Standard CAS: 1154740-66-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1154740-66-5
Multi CAS
No
Molecular Formula
C8H5BrClNO2
Molecular Weight
262.490000
Exact Mass
260.919220
SMILES
C1C(=O)NC2=C(O1)C=CC(=C2Cl)Br
InChI
InChI=1S/C8H5BrClNO2/c9-4-1-2-5-8(7(4)10)11-6(12)3-13-5/h1-2H,3H2,(H,11,12)
InChIKey
DTSSBFUGQWFOHI-UHFFFAOYSA-N
Synonyms
6-bromo-5-chloro-3,4-dihydro-2H-1,4-benzoxazin-3-one RefChem:541056 886-302-0 6-Bromo-5-chloro-2H-benzo[b][1,4]oxazin-3(4H)-one 6-Bromo-5-chloro-4H-benzo[1,4]oxazin-3-one

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.28
TPSA
38.33

LogP / Solubility

WLOGP
2.43
MLOGP
2.15
XLogP3
2.2
Consensus LogP
2.26
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
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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