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CAS 6345-55-7 5-NITRO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 6345-55-7

5-NITRO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250618 1g / 5g / 10g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-173134
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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: 0.25g, 1g, 5g
  • 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 6345-55-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 5 In Stock Shanghai Inquiry
1g >97% 5 In Stock Shanghai Inquiry
5g >97% 1 In Stock Shenzhen Inquiry

6345-55-7 / 5-nitro-1-benzothiophene-2-carboxylic acid

Standard CAS: 6345-55-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6345-55-7
Multi CAS
Yes
Molecular Formula
C9H5NO4S
Molecular Weight
223.210000
Exact Mass
222.993929
InChI
InChI=1S/C9H5NO4S/c11-9(12)8-4-5-3-6(10(13)14)1-2-7(5)15-8/h1-4H,(H,11,12)
InChIKey
ZGSMHACHDULBBY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
55.44
TPSA
80.44

LogP / Solubility

WLOGP
2.51
MLOGP
2.21
XLogP3
2.6
Consensus LogP
2.44
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly 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)
-2.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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