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CAS 7311-95-7 ETHYL-2-AMINO-BENZO(B)THIOPHENE-3-CARBOXYLATE molecular structure lightbox
CAS RN: 7311-95-7

ETHYL-2-AMINO-BENZO(B)THIOPHENE-3-CARBOXYLATE

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250604 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260412 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
Batchno.20260204 1g In stock Shanghai Inquiry
Batchno.20250505 250mg In stock Shanghai, Wuhan Inquiry
Batchno.20260514 5g In stock Shanghai Inquiry
  • Product code: SSC-182592
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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: ＞97%
  • 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 7311-95-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

7311-95-7 / ethyl 2-amino-1-benzothiophene-3-carboxylate

Standard CAS: 7311-95-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7311-95-7
Multi CAS
Yes
Molecular Formula
C11H11NO2S
Molecular Weight
221.280000
Exact Mass
221.051050
InChI
InChI=1S/C11H11NO2S/c1-2-14-11(13)9-7-5-3-4-6-8(7)15-10(9)12/h3-6H,2,12H2,1H3
InChIKey
XNASJEQIJMDBQN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
62.19
TPSA
52.32

LogP / Solubility

WLOGP
2.66
MLOGP
2.34
XLogP3
2.7
Consensus LogP
2.57
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
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)
-2.18

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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