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CAS 1026559-41-0 5-Chloropyridin-3-yl 1H-Indole-5-carboxylate molecular structure lightbox
CAS RN: 1026559-41-0

5-Chloropyridin-3-yl 1H-Indole-5-carboxylate

  • Product code: SSC-003932
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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 1026559-41-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1026559-41-0 / (5-chloro-3-pyridinyl) 1H-indole-5-carboxylate

5-Chloropyridin-3-yl 1H-indole-5-carboxylate | (5-Chloro-3-pyridyl) 1H-indole-5-carboxylate | MFCD32876734

Standard CAS: 1026559-41-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1026559-41-0
Multi CAS
No
Molecular Formula
C14H9ClN2O2
Molecular Weight
272.680000
Exact Mass
272.035255
SMILES
C1=CC2=C(C=CN2)C=C1C(=O)OC3=CC(=CN=C3)Cl
InChI
InChI=1S/C14H9ClN2O2/c15-11-6-12(8-16-7-11)19-14(18)10-1-2-13-9(5-10)3-4-17-13/h1-8,17H
InChIKey
TYLOEMFGLQBHPE-UHFFFAOYSA-N
Synonyms
5-Chloropyridin-3-yl 1H-indole-5-carboxylate (5-Chloro-3-pyridyl) 1H-indole-5-carboxylate MFCD32876734 (5-Chloro-3-pyridyl)1h-indole-5-carboxylate CHEMBL510559

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
72.5
TPSA
54.98

LogP / Solubility

WLOGP
3.44
MLOGP
3.03
XLogP3
3.7
Consensus LogP
3.39
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.52
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)
-1.94

Drug-likeness / Medicinal Chemistry

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

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