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CAS 1015610-39-5 5-CHLORO-1H-PYRROLO[2,3-B]PYRIDINE-4-CARBALDEHYDE molecular structure lightbox
CAS RN: 1015610-39-5

5-CHLORO-1H-PYRROLO[2,3-B]PYRIDINE-4-CARBALDEHYDE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260501 100mg / 250mg / 500mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-002386
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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, 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 1015610-39-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shanghai Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1015610-39-5 / 5-chloro-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde

5-Chloro-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde | DTXSID20640169 | RefChem:534335

Standard CAS: 1015610-39-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1015610-39-5
Multi CAS
Yes
Molecular Formula
C8H5ClN2O
Molecular Weight
180.590000
Exact Mass
180.009041
SMILES
C1=CNC2=NC=C(C(=C21)C=O)Cl
InChI
InChI=1S/C8H5ClN2O/c9-7-3-11-8-5(1-2-10-8)6(7)4-12/h1-4H,(H,10,11)
InChIKey
PHZFFVFGFZWMFD-UHFFFAOYSA-N
Synonyms
5-Chloro-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde DTXSID20640169 RefChem:534335 DTXCID90590920 MFCD09965890

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.49
TPSA
45.75

LogP / Solubility

WLOGP
2.03
MLOGP
1.78
XLogP3
1.4
Consensus LogP
1.74
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
Class (SILICOS-IT)
Moderately 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)
-2.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
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] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501

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