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CAS 360576-01-8 6-BROMO-BENZO[B]THIOPHENE-2-CARBOXY LIC ACID METHYL ESTER molecular structure lightbox
CAS RN: 360576-01-8

6-BROMO-BENZO[B]THIOPHENE-2-CARBOXY LIC ACID METHYL ESTER

  • Product code: SSC-143174
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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 360576-01-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

360576-01-8 / methyl 6-bromo-1-benzothiophene-2-carboxylate

Standard CAS: 360576-01-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
360576-01-8
Multi CAS
No
Molecular Formula
C10H7BRO2S
Molecular Weight
271.130000
Exact Mass
269.935010
InChI
InChI=1S/C10H7BrO2S/c1-13-10(12)9-4-6-2-3-7(11)5-8(6)14-9/h2-5H,1H3
InChIKey
SFDVDNLBYGHFNF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
60.86
TPSA
26.3

LogP / Solubility

WLOGP
3.45
MLOGP
3.04
XLogP3
3.8
Consensus LogP
3.43
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.41
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.92

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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