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CAS 1254332-84-7 6-BROMO-3-METHYL-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE molecular structure lightbox
CAS RN: 1254332-84-7

6-BROMO-3-METHYL-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250923 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1254332-84-7
  • Purity/Analytical Methods: >99.0%
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1254332-84-7 / 6-bromo-3-methyl-3,4-dihydro-2H-1,4-benzoxazine

Standard CAS: 1254332-84-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1254332-84-7
Multi CAS
No
Molecular Formula
C9H10BrNO
Molecular Weight
228.090000
Exact Mass
226.994580
SMILES
CC1COC2=C(N1)C=C(C=C2)Br
InChI
InChI=1S/C9H10BrNO/c1-6-5-12-9-3-2-7(10)4-8(9)11-6/h2-4,6,11H,5H2,1H3
InChIKey
DAMUKFVLKNTFNK-UHFFFAOYSA-N

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
52.72
TPSA
21.26

LogP / Solubility

WLOGP
2.64
MLOGP
2.33
XLogP3
2.8
Consensus LogP
2.59
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
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)
-2.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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