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CAS 24434-82-0 benzo[b]thiophen-3-yl acetate molecular structure lightbox
CAS RN: 24434-82-0

benzo[b]thiophen-3-yl acetate

  • Product code: SSC-118888
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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 24434-82-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

24434-82-0 / 1-benzothiophen-3-yl acetate

Standard CAS: 24434-82-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24434-82-0
Multi CAS
No
Molecular Formula
C10H8O2S
Molecular Weight
192.240000
Exact Mass
192.024501
SMILES
CC(=O)OC1=CSC2=CC=CC=C21
InChI
InChI=1S/C10H8O2S/c1-7(11)12-9-6-13-10-5-3-2-4-8(9)10/h2-6H,1H3
InChIKey
IFMOFXZTHWSMEA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
53.13
TPSA
26.3

LogP / Solubility

WLOGP
2.83
MLOGP
2.49
XLogP3
2.8
Consensus LogP
2.71
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.89

Drug-likeness / Medicinal Chemistry

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

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