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CAS 881674-64-2 5-(2-Methylphenyl)-1H-pyrrole-3-carbaldehyde molecular structure lightbox
CAS RN: 881674-64-2

5-(2-Methylphenyl)-1H-pyrrole-3-carbaldehyde

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250111 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-198674
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 881674-64-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry
1g ≥95% 1 In Stock Hong Kong Inquiry

881674-64-2 / 5-(2-methylphenyl)-1H-pyrrole-3-carbaldehyde

Standard CAS: 881674-64-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
881674-64-2
Multi CAS
No
Molecular Formula
C12H11NO
Molecular Weight
185.220000
Exact Mass
185.084064
InChI
InChI=1S/C12H11NO/c1-9-4-2-3-5-11(9)12-6-10(8-14)7-13-12/h2-8,13H,1H3
InChIKey
RJYKMVCYIHLMBK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.35
TPSA
32.86

LogP / Solubility

WLOGP
2.8
MLOGP
2.46
XLogP3
2.2
Consensus LogP
2.49
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
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)
-1.86

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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