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CAS 1449779-49-0 2-((1r,4r)-4-(4-(2-((4-(trifluoroMethoxy)benzyl)carbaMoyl)iMidazo[1,2-a]pyridin-6-yl)phenyl)cyclohexyl)acetic acid molecular structure lightbox
CAS RN: 1449779-49-0

2-((1r,4r)-4-(4-(2-((4-(trifluoroMethoxy)benzyl)carbaMoyl)iMidazo[1,2-a]pyridin-6-yl)phenyl)cyclohexyl)acetic acid

Product Availability

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9 package records9 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260515 100mg In stock Shanghai Inquiry
Batchno.20250310 10mg In stock Shanghai Inquiry
Batchno.20260328 1g In stock Shanghai Inquiry
Batchno.20260107 1mg In stock Shanghai Inquiry
Batchno.20250529 250mg In stock Shanghai Inquiry
Batchno.20251127 25mg In stock Shanghai Inquiry
Batchno.20250812 2mg In stock Shanghai Inquiry
Batchno.20250512 50mg In stock Shanghai Inquiry
Batchno.20251124 5mg In stock Shanghai Inquiry
  • Product code: SSC-056361
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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 1449779-49-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

1449779-49-0 / 2-[4-[4-[2-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid

Standard CAS: 1449779-49-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1449779-49-0
Multi CAS
No
Molecular Formula
C30H28F3N3O4
Molecular Weight
551.600000
Exact Mass
551.203191
SMILES
C1CC(CCC1CC(=O)O)C2=CC=C(C=C2)C3=CN4C=C(N=C4C=C3)C(=O)NCC5=CC=C(C=C5)OC(F)(F)F
InChI
InChI=1S/C30H28F3N3O4/c31-30(32,33)40-25-12-3-20(4-13-25)16-34-29(39)26-18-36-17-24(11-14-27(36)35-26)23-9-7-22(8-10-23)21-5-1-19(2-6-21)15-28(37)38/h3-4,7-14,17-19,21H,1-2,5-6,15-16H2,(H,34,39)(H,37,38)
InChIKey
KFGSQOIWOCDWAS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
21
Fraction Csp3
0.3
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
2
Molar refractivity
141.87
TPSA
92.93

LogP / Solubility

WLOGP
6.58
MLOGP
5.83
XLogP3
7.4
Consensus LogP
6.6
Log S (ESOL)
-7.26
Class (ESOL)
Insoluble
Log S (Ali)
-8.83
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.67
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.41

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5

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