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CAS 335032-38-7 6-Bromo-1,4-dihydro-2H-pyrido-[2,3-d][1,3]oxazin-2-one molecular structure lightbox
CAS RN: 335032-38-7

6-Bromo-1,4-dihydro-2H-pyrido-[2,3-d][1,3]oxazin-2-one

  • Product code: SSC-139615
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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: 5g
  • 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 335032-38-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

335032-38-7 / 6-bromo-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one

Standard CAS: 335032-38-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
335032-38-7
Multi CAS
No
Molecular Formula
BC7H5O2Rn2
Molecular Weight
229.030000
Exact Mass
227.953440
InChI
InChI=1S/C7H5BrN2O2/c8-5-1-4-3-12-7(11)10-6(4)9-2-5/h1-2H,3H2,(H,9,10,11)
InChIKey
UQKSYBHWHOLZKA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.74
TPSA
51.22

LogP / Solubility

WLOGP
1.91
MLOGP
1.68
XLogP3
1
Consensus LogP
1.53
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
Class (SILICOS-IT)
Moderately 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)
-2.76

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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