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CAS 99902-03-1 2-THIOPHEN-3-YL-BENZALDEHYDE molecular structure lightbox
CAS RN: 99902-03-1

2-THIOPHEN-3-YL-BENZALDEHYDE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260317 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-213415
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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 99902-03-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

99902-03-1 / 2-thiophen-3-ylbenzaldehyde

Standard CAS: 99902-03-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
99902-03-1
Multi CAS
No
Molecular Formula
C11H8OS
Molecular Weight
188.250000
Exact Mass
188.029586
SMILES
C1=CC=C(C(=C1)C=O)C2=CSC=C2
InChI
InChI=1S/C11H8OS/c12-7-9-3-1-2-4-11(9)10-5-6-13-8-10/h1-8H
InChIKey
ICLJIEBWQYGNIU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
55.14
TPSA
17.07

LogP / Solubility

WLOGP
3.23
MLOGP
2.84
XLogP3
2.7
Consensus LogP
2.92
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
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)
-1.58

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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