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CAS 1011711-52-6 Ethanone, 1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)- molecular structure lightbox
CAS RN: 1011711-52-6

Ethanone, 1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250304 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260317 1g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250803 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260315 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-002023
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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 1011711-52-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1011711-52-6 / 1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone

1-{4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}ethan-1-one | 1-(4-chloro-1H-pyrrolo(2,3-b)pyridin-3-yl)ethan-1-one | RefChem:425110

Standard CAS: 1011711-52-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1011711-52-6
Multi CAS
No
Molecular Formula
C9H7ClN2O
Molecular Weight
194.620000
Exact Mass
194.024691
SMILES
CC(=O)C1=CNC2=NC=CC(=C12)Cl
InChI
InChI=1S/C9H7ClN2O/c1-5(13)6-4-12-9-8(6)7(10)2-3-11-9/h2-4H,1H3,(H,11,12)
InChIKey
UKCGIOZOYKFSGN-UHFFFAOYSA-N
Synonyms
1-{4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}ethan-1-one 1-(4-chloro-1H-pyrrolo(2,3-b)pyridin-3-yl)ethan-1-one RefChem:425110 889-827-3 3-ACETYL-4-CHLORO-7-AZAINDOLE

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.11
TPSA
45.75

LogP / Solubility

WLOGP
2.42
MLOGP
2.13
XLogP3
1.6
Consensus LogP
2.05
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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