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CAS 2167-14-8 1-Ethyl-1H-pyrrole-2-carboxaldehyde molecular structure lightbox
CAS RN: 2167-14-8

1-Ethyl-1H-pyrrole-2-carboxaldehyde

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250727 100mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-104021
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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 2167-14-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

2167-14-8 / 1-ethylpyrrole-2-carbaldehyde

Standard CAS: 2167-14-8 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2167-14-8
Multi CAS
No
Molecular Formula
C7H9NO
Molecular Weight
123.150000
Exact Mass
123.068414
SMILES
CCN1C=CC=C1C=O
InChI
InChI=1S/C7H9NO/c1-2-8-5-3-4-7(8)6-9/h3-6H,2H2,1H3
InChIKey
DVLGEHCERRWDIX-UHFFFAOYSA-N

Physical Properties

Boiling Point
204.00 to 206.00 °C. @ 760.00 mm Hg
Density
1.033 - 1.039
Physical Description
Clear colorless to yellow liquid; burnt smokey aroma
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
35.49
TPSA
22

LogP / Solubility

WLOGP
1.32
MLOGP
1.15
XLogP3
0.8
Consensus LogP
1.09
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.52
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.53

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

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