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CAS 481659-93-2 ETHYL 1-METHYL-5-[4”-(TRIFLUOROMETHYL)BIPHENYL-2-CARBOXAMIDO]INDOLE-2-CARBOXYLATE molecular structure lightbox
CAS RN: 481659-93-2

ETHYL 1-METHYL-5-[4”-(TRIFLUOROMETHYL)BIPHENYL-2-CARBOXAMIDO]INDOLE-2-CARBOXYLATE

  • Product code: SSC-155122
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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 481659-93-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

481659-93-2 / ethyl 1-methyl-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]indole-2-carboxylate

Standard CAS: 481659-93-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
481659-93-2
Multi CAS
No
Molecular Formula
C26F3H21N2O3
Molecular Weight
466.500000
Exact Mass
466.150427
InChI
InChI=1S/C26H21F3N2O3/c1-3-34-25(33)23-15-17-14-19(12-13-22(17)31(23)2)30-24(32)21-7-5-4-6-20(21)16-8-10-18(11-9-16)26(27,28)29/h4-15H,3H2,1-2H3,(H,30,32)
InChIKey
LPGIJOKHQGNRDJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
21
Fraction Csp3
0.15
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
123.71
TPSA
60.33

LogP / Solubility

WLOGP
6.29
MLOGP
5.57
XLogP3
5.9
Consensus LogP
5.92
Log S (ESOL)
-6.82
Class (ESOL)
Insoluble
Log S (Ali)
-7.93
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.52
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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