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CAS 163220-69-7 2,2,2-trichloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone molecular structure lightbox
CAS RN: 163220-69-7

2,2,2-trichloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250616 100mg In stock Shenzhen, Wuhan Inquiry
Batchno.20260514 1g In stock Shenzhen Inquiry
Batchno.20251127 250mg In stock Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250620 50mg In stock Shenzhen, Tianjin Inquiry
Batchno.20251025 50mg / 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-070887
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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 163220-69-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

163220-69-7 / 2,2,2-trichloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone

Standard CAS: 163220-69-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
163220-69-7
Multi CAS
No
Molecular Formula
C9H5Cl3N2O
Molecular Weight
263.500000
Exact Mass
261.946746
SMILES
C1=CC2=C(NC=C2C(=O)C(Cl)(Cl)Cl)N=C1
InChI
InChI=1S/C9H5Cl3N2O/c10-9(11,12)7(15)6-4-14-8-5(6)2-1-3-13-8/h1-4H,(H,13,14)
InChIKey
PUVWKOWEOBZQCT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.71
TPSA
45.75

LogP / Solubility

WLOGP
3.12
MLOGP
2.75
XLogP3
2.9
Consensus LogP
2.92
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
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)
-2.12

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501

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