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CAS 1197300-24-5 4-IsoxazolecarboxaMide, 3-(2-chlorophenyl)-N-(4-chlorophenyl)-N,5-diMethyl- molecular structure lightbox
CAS RN: 1197300-24-5

4-IsoxazolecarboxaMide, 3-(2-chlorophenyl)-N-(4-chlorophenyl)-N,5-diMethyl-

Product Availability

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9 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250622 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260308 100mg Out of stock Inquiry
Batchno.20250813 10mg In stock Shanghai Inquiry
Batchno.20251129 1g Out of stock Inquiry
Batchno.20250418 1mg In stock Shanghai, Wuhan Inquiry
Batchno.20250415 250mg Out of stock Inquiry
Batchno.20250912 25mg In stock Shanghai Inquiry
Batchno.20250303 50mg Out of stock Inquiry
Batchno.20250508 5mg In stock Shanghai, Wuhan Inquiry
  • Product code: SSC-020474
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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: 0.25g
  • 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 1197300-24-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1197300-24-5 / 3-(2-chlorophenyl)-N-(4-chlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide

TGR5 Receptor Agonist | TGR5 | CCDC

Standard CAS: 1197300-24-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1197300-24-5
Multi CAS
No
Molecular Formula
C18H14Cl2N2O2
Molecular Weight
361.200000
Exact Mass
360.043233
SMILES
CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N(C)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H14Cl2N2O2/c1-11-16(17(21-24-11)14-5-3-4-6-15(14)20)18(23)22(2)13-9-7-12(19)8-10-13/h3-10H,1-2H3
InChIKey
IGRCWJPBLWGNPX-UHFFFAOYSA-N
Synonyms
TGR5 Receptor Agonist TGR5 CCDC 3-(2-chlorophenyl)-N-(4-chlorophenyl)-N,5-dimethylisoxazole-4-carboxamide MFCD17169972

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
17
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
95.87
TPSA
46.34

LogP / Solubility

WLOGP
5.23
MLOGP
4.62
XLogP3
4.7
Consensus LogP
4.85
Log S (ESOL)
-5.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.71
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-1.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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