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CAS 78267-15-9 ETHYL 2-ANILINO-4-OXO-4,5-DIHYDRO-3-THIOPHENECARBOXYLATE molecular structure lightbox
CAS RN: 78267-15-9

ETHYL 2-ANILINO-4-OXO-4,5-DIHYDRO-3-THIOPHENECARBOXYLATE

  • Product code: SSC-187733
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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 78267-15-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

78267-15-9 / ethyl 3-hydroxy-5-phenylimino-2H-thiophene-4-carboxylate

Standard CAS: 78267-15-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
78267-15-9
Multi CAS
Yes
Molecular Formula
C13H13NO3S
Molecular Weight
263.310000
Exact Mass
263.061614
InChI
InChI=1S/C13H13NO3S/c1-2-17-13(16)11-10(15)8-18-12(11)14-9-6-4-3-5-7-9/h3-7,15H,2,8H2,1H3
InChIKey
PJMOPMXQAVHCTP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.23
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
72.28
TPSA
58.89

LogP / Solubility

WLOGP
2.84
MLOGP
2.51
XLogP3
2.9
Consensus LogP
2.75
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.09
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.31

Drug-likeness / Medicinal Chemistry

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

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