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CAS 10134-95-9 BENZOTHIOPHENE-4-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 10134-95-9

BENZOTHIOPHENE-4-CARBOXYLIC ACID

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260122 100mg / 250mg / 1g Confirm by inquiry Shandong Inquiry
  • Product code: SSC-002188
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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 10134-95-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

10134-95-9 / 1-benzothiophene-4-carboxylic acid

benzo[b]thiophene-4-carboxylic acid | 1-benzothiophene-4-carboxylic acid | Benzothiophene-4-carboxylic Acid

Standard CAS: 10134-95-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10134-95-9
Multi CAS
Yes
Molecular Formula
C9H6O2S
Molecular Weight
178.210000
Exact Mass
178.008851
SMILES
C1=CC(=C2C=CSC2=C1)C(=O)O
InChI
InChI=1S/C9H6O2S/c10-9(11)7-2-1-3-8-6(7)4-5-12-8/h1-5H,(H,10,11)
InChIKey
REVHWEJAHDLSTJ-UHFFFAOYSA-N
Synonyms
benzo[b]thiophene-4-carboxylic acid 1-benzothiophene-4-carboxylic acid Benzothiophene-4-carboxylic Acid MFCD01929340 SCHEMBL2083799

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.78
TPSA
37.3

LogP / Solubility

WLOGP
2.6
MLOGP
2.28
XLogP3
2.5
Consensus LogP
2.46
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
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)
-1.96

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501

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