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CAS 499793-84-9 1-(4-Propylphenyl)-2,5-di(2-thienyl)-1H-pyrrole molecular structure lightbox
CAS RN: 499793-84-9

1-(4-Propylphenyl)-2,5-di(2-thienyl)-1H-pyrrole

Product Availability

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4 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251018 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250817 100mg Out of stock Inquiry
Batchno.20260507 1g Out of stock Inquiry
Batchno.20251009 250mg Out of stock Inquiry
  • Product code: SSC-156228
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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 499793-84-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

499793-84-9 / 1-(4-propylphenyl)-2,5-dithiophen-2-ylpyrrole

Standard CAS: 499793-84-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
499793-84-9
Multi CAS
No
Molecular Formula
C21H19NS2
Molecular Weight
349.500000
Exact Mass
349.095892
InChI
InChI=1S/C21H19NS2/c1-2-5-16-8-10-17(11-9-16)22-18(20-6-3-14-23-20)12-13-19(22)21-7-4-15-24-21/h3-4,6-15H,2,5H2,1H3
InChIKey
JFTYJFYWQQLLFG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
21
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
106.39
TPSA
4.93

LogP / Solubility

WLOGP
6.89
MLOGP
6.08
XLogP3
6.4
Consensus LogP
6.46
Log S (ESOL)
-6.66
Class (ESOL)
Insoluble
Log S (Ali)
-7.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.25
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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