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CAS 4192-32-9 5-(2-BroMo-acetyl)-thiophene-2-carboxylic acid Methyl ester molecular structure lightbox
CAS RN: 4192-32-9

5-(2-BroMo-acetyl)-thiophene-2-carboxylic acid Methyl ester

  • Product code: SSC-150258
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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: 0.1g
  • 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 4192-32-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

4192-32-9 / methyl 5-(2-bromoacetyl)thiophene-2-carboxylate

Standard CAS: 4192-32-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4192-32-9
Multi CAS
No
Molecular Formula
C8H7BRO3S
Molecular Weight
263.110000
Exact Mass
261.929930
InChI
InChI=1S/C8H7BrO3S/c1-12-8(11)7-3-2-6(13-7)5(10)4-9/h2-3H,4H2,1H3
InChIKey
KKPYVZJBLYIYRX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
53.78
TPSA
43.37

LogP / Solubility

WLOGP
2.11
MLOGP
1.87
XLogP3
2.6
Consensus LogP
2.19
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
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)
-2.83

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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