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CAS 65234-09-5 2-AMINO-4-(4-CHLORO-PHENYL)-THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 65234-09-5

2-AMINO-4-(4-CHLORO-PHENYL)-THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251001 500mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-174908
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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: ≥98%
  • 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 65234-09-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Beijing Inquiry

65234-09-5 / ethyl 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate

Standard CAS: 65234-09-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
65234-09-5
Multi CAS
Yes
Molecular Formula
C13H12CLNO2S
Molecular Weight
281.760000
Exact Mass
281.027728
InChI
InChI=1S/C13H12ClNO2S/c1-2-17-13(16)11-10(7-18-12(11)15)8-3-5-9(14)6-4-8/h3-7H,2,15H2,1H3
InChIKey
YHJWJJKFFNCDCK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.15
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
75.13
TPSA
52.32

LogP / Solubility

WLOGP
3.83
MLOGP
3.38
XLogP3
4.3
Consensus LogP
3.84
Log S (ESOL)
-4.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.03
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.72

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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