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CAS 90407-15-1 7-CHLORO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 90407-15-1

7-CHLORO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID

  • Product code: SSC-202915
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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 90407-15-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

90407-15-1 / ethyl 7-chloro-1-benzothiophene-2-carboxylate

Standard CAS: 90407-15-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
90407-15-1
Multi CAS
Yes
Molecular Formula
C11H9CLO2S
Molecular Weight
240.710000
Exact Mass
240.001178
InChI
InChI=1S/C11H9ClO2S/c1-2-14-11(13)9-6-7-4-3-5-8(12)10(7)15-9/h3-6H,2H2,1H3
InChIKey
SBWRJGPKZNEBGR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
62.79
TPSA
26.3

LogP / Solubility

WLOGP
3.73
MLOGP
3.29
XLogP3
4.1
Consensus LogP
3.71
Log S (ESOL)
-4
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.56
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.54

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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