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CAS 91076-94-7 ETHYL 3-AMINO-5-(4-CHLOROPHENYL)THIOPHE& molecular structure lightbox
CAS RN: 91076-94-7

ETHYL 3-AMINO-5-(4-CHLOROPHENYL)THIOPHE&

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260122 100mg In stock Inquiry
Batchno.20250420 1g In stock Inquiry
Batchno.20250714 250mg In stock Inquiry
Batchno.20260404 5g In stock Inquiry
  • Product code: SSC-203907
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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 91076-94-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

91076-94-7 / ethyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate

Standard CAS: 91076-94-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
91076-94-7
Multi CAS
No
Molecular Formula
C13H12CLNO2S
Molecular Weight
281.760000
Exact Mass
281.027728
InChI
InChI=1S/C13H12ClNO2S/c1-2-17-13(16)12-10(15)7-11(18-12)8-3-5-9(14)6-4-8/h3-7H,2,15H2,1H3
InChIKey
VOIKQRXCKXHXNF-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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