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CAS 62224-24-2 METHYL4,5-DIBROMOTHIOPHENE-2-CARBOXYLATE molecular structure lightbox
CAS RN: 62224-24-2

METHYL4,5-DIBROMOTHIOPHENE-2-CARBOXYLATE

  • Product code: SSC-171315
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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 62224-24-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

62224-24-2 / methyl 4,5-dibromothiophene-2-carboxylate

Standard CAS: 62224-24-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
62224-24-2
Multi CAS
No
Molecular Formula
C6H4BR2O2S
Molecular Weight
299.970000
Exact Mass
299.827830
InChI
InChI=1S/C6H4Br2O2S/c1-10-6(9)4-2-3(7)5(8)11-4/h2H,1H3
InChIKey
URPMSPAEAVFKCO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
51.06
TPSA
26.3

LogP / Solubility

WLOGP
3.06
MLOGP
2.7
XLogP3
3.5
Consensus LogP
3.09
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.27
Class (SILICOS-IT)
Slightly 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)
-2.38

Drug-likeness / Medicinal Chemistry

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

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