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CAS 38239-32-6 Methyl 5-bromo-4-nitrothiophene-2-carboxylate molecular structure lightbox
CAS RN: 38239-32-6

Methyl 5-bromo-4-nitrothiophene-2-carboxylate

  • Product code: SSC-145767
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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 38239-32-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

38239-32-6 / methyl 5-bromo-4-nitrothiophene-2-carboxylate

Standard CAS: 38239-32-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
38239-32-6
Multi CAS
Yes
Molecular Formula
BC6H4O4RnS
Molecular Weight
266.070000
Exact Mass
264.904440
InChI
InChI=1S/C6H4BrNO4S/c1-12-6(9)4-2-3(8(10)11)5(7)13-4/h2H,1H3
InChIKey
IKLHFNCFMCPBRU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
50.01
TPSA
69.44

LogP / Solubility

WLOGP
2.21
MLOGP
1.95
XLogP3
2.6
Consensus LogP
2.25
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
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)
-2.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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