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CAS 1112208-70-4 6-bromo-1H-pyrido[2,3-d][1,3]oxazine-2,4-dione molecular structure lightbox
CAS RN: 1112208-70-4

6-bromo-1H-pyrido[2,3-d][1,3]oxazine-2,4-dione

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260319 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1112208-70-4
  • Purity/Analytical Methods: >99.0%
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1112208-70-4 / 6-bromo-1H-pyrido[2,3-d][1,3]oxazine-2,4-dione

6-bromo-1H-pyrido[2,3-d][1,3]oxazine-2,4-dione | SCHEMBL24002739 | SCHEMBL30187131

Standard CAS: 1112208-70-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1112208-70-4
Multi CAS
No
Molecular Formula
C7H3BrN2O3
Molecular Weight
243.010000
Exact Mass
241.932700
SMILES
C1=C(C=NC2=C1C(=O)OC(=O)N2)Br
InChI
InChI=1S/C7H3BrN2O3/c8-3-1-4-5(9-2-3)10-7(12)13-6(4)11/h1-2H,(H,9,10,12)
InChIKey
WTTSMPMDHHCWQZ-UHFFFAOYSA-N
Synonyms
6-bromo-1H-pyrido[2,3-d][1,3]oxazine-2,4-dione SCHEMBL24002739 SCHEMBL30187131 MFCD24387182 G69240

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
4
H-bond donors
1
Molar refractivity
48.6
TPSA
75.96

LogP / Solubility

WLOGP
0.64
MLOGP
0.57
XLogP3
1
Consensus LogP
0.74
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.77
Class (SILICOS-IT)
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)
-3.75

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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