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CAS 2089311-29-3 3H-Imidazo[4,5-b]pyridine, 5,7-dichloro-2-(trifluoromethyl)- molecular structure lightbox
CAS RN: 2089311-29-3

3H-Imidazo[4,5-b]pyridine, 5,7-dichloro-2-(trifluoromethyl)-

Product Availability

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3 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250311 100mg Out of stock Inquiry
Batchno.20260403 1g Out of stock Inquiry
Batchno.20250517 250mg In stock Tianjin Inquiry
  • Product code: SSC-098266
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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: ＞97%
  • 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 2089311-29-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

2089311-29-3 / 5,7-dichloro-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine

Standard CAS: 2089311-29-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2089311-29-3
Multi CAS
No
Molecular Formula
C7H2Cl2F3N3
Molecular Weight
256.010000
Exact Mass
254.957787
SMILES
C1=C(C2=C(N=C1Cl)N=C(N2)C(F)(F)F)Cl
InChI
InChI=1S/C7H2Cl2F3N3/c8-2-1-3(9)13-5-4(2)14-6(15-5)7(10,11)12/h1H,(H,13,14,15)
InChIKey
KXPIQLFUTCCYCR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.91
TPSA
41.57

LogP / Solubility

WLOGP
3.28
MLOGP
2.9
XLogP3
3.3
Consensus LogP
3.16
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.05
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.95

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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