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CAS 67137-56-8 Methyl 2-(5-broMothiophen-2-yl)acetate molecular structure lightbox
CAS RN: 67137-56-8

Methyl 2-(5-broMothiophen-2-yl)acetate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251224 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-176786
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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 67137-56-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

67137-56-8 / methyl 2-(5-bromothiophen-2-yl)acetate

Standard CAS: 67137-56-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
67137-56-8
Multi CAS
No
Molecular Formula
C7H7BRO2S
Molecular Weight
235.100000
Exact Mass
233.935010
InChI
InChI=1S/C7H7BrO2S/c1-10-7(9)4-5-2-3-6(8)11-5/h2-3H,4H2,1H3
InChIKey
KEYPHZZYKZVXLU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
47.74
TPSA
26.3

LogP / Solubility

WLOGP
2.23
MLOGP
1.96
XLogP3
2.5
Consensus LogP
2.23
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
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)
-2.57

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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