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CAS 90407-16-2 7-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 90407-16-2

7-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250814 1g / 5g / 10g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-202916
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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 90407-16-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

90407-16-2 / 7-chloro-1-benzothiophene-2-carboxylic acid

Standard CAS: 90407-16-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
90407-16-2
Multi CAS
No
Molecular Formula
C9H5CLO2S
Molecular Weight
212.650000
Exact Mass
211.969878
InChI
InChI=1S/C9H5ClO2S/c10-6-3-1-2-5-4-7(9(11)12)13-8(5)6/h1-4H,(H,11,12)
InChIKey
AAXOHLXWCUMMQS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.79
TPSA
37.3

LogP / Solubility

WLOGP
3.25
MLOGP
2.86
XLogP3
3.4
Consensus LogP
3.17
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.71

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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