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CAS 22913-24-2 METHYL BENZO[B]THIOPHENE-2-CARBOXYLATE molecular structure lightbox
CAS RN: 22913-24-2

METHYL BENZO[B]THIOPHENE-2-CARBOXYLATE

Product Availability

Choose a grade to view its available package options.

6 package records4 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250604 100g Out of stock Inquiry
Batchno.20250818 10g In stock Inquiry
Batchno.20260224 1g In stock Inquiry
Batchno.20250917 1g / 5g / 25g / 100g Out of stock 8-10 business days Inquiry
Batchno.20260219 25g In stock Inquiry
Batchno.20251210 5g In stock Inquiry
  • Product code: SSC-111494
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 22913-24-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 4 In Stock Beijing Inquiry
5g >97% 2 In Stock Hong Kong Inquiry
10g >97% 1 In Stock Shenzhen Inquiry
25g >97% 0 Out of Stock Beijing Inquiry

22913-24-2 / methyl 1-benzothiophene-2-carboxylate

Standard CAS: 22913-24-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22913-24-2
Multi CAS
No
Molecular Formula
C10H8O2S
Molecular Weight
192.240000
Exact Mass
192.024501
SMILES
COC(=O)C1=CC2=CC=CC=C2S1
InChI
InChI=1S/C10H8O2S/c1-12-10(11)9-6-7-4-2-3-5-8(7)13-9/h2-6H,1H3
InChIKey
KRRAZMUPVIGDCU-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
53.16
TPSA
26.3

LogP / Solubility

WLOGP
2.69
MLOGP
2.36
XLogP3
3.1
Consensus LogP
2.72
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
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)
-1.98

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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