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CAS 1154740-48-3 6-bromo-5-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine molecular structure lightbox
CAS RN: 1154740-48-3

6-bromo-5-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260624 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-015225
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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 1154740-48-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1154740-48-3 / 6-bromo-5-methyl-3,4-dihydro-2H-1,4-benzoxazine

6-bromo-5-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine | 2H-1,4-BENZOXAZINE, 6-BROMO-3,4-DIHYDRO-5-METHYL- | 6-bromo-5-methyl-3,4-dihydro-2H-1,4-benzoxazine

Standard CAS: 1154740-48-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1154740-48-3
Multi CAS
No
Molecular Formula
C9H10BrNO
Molecular Weight
228.090000
Exact Mass
226.994580
SMILES
CC1=C(C=CC2=C1NCCO2)Br
InChI
InChI=1S/C9H10BrNO/c1-6-7(10)2-3-8-9(6)11-4-5-12-8/h2-3,11H,4-5H2,1H3
InChIKey
VYKHUEGCOXQRDI-UHFFFAOYSA-N
Synonyms
6-bromo-5-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine 2H-1,4-BENZOXAZINE, 6-BROMO-3,4-DIHYDRO-5-METHYL- 6-bromo-5-methyl-3,4-dihydro-2H-1,4-benzoxazine MFCD20526453 6-Bromo-3,4-dihydro-5-methyl-2H-1,4-benzoxazine

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.86
TPSA
21.26

LogP / Solubility

WLOGP
2.56
MLOGP
2.26
XLogP3
2.7
Consensus LogP
2.51
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
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)
-2.29

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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