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CAS 209256-56-4 2,2-dimethyl-2,3-dihydro-1-benzofuran-4-carbaldehyde molecular structure lightbox
CAS RN: 209256-56-4

2,2-dimethyl-2,3-dihydro-1-benzofuran-4-carbaldehyde

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260208 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-099008
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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 209256-56-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

209256-56-4 / 2,2-dimethyl-3H-1-benzofuran-4-carbaldehyde

Standard CAS: 209256-56-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
209256-56-4
Multi CAS
No
Molecular Formula
C11H12O2
Molecular Weight
176.210000
Exact Mass
176.083730
SMILES
CC1(CC2=C(C=CC=C2O1)C=O)C
InChI
InChI=1S/C11H12O2/c1-11(2)6-9-8(7-12)4-3-5-10(9)13-11/h3-5,7H,6H2,1-2H3
InChIKey
LUWDDBYJLRTYOB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
50.24
TPSA
26.3

LogP / Solubility

WLOGP
2.21
MLOGP
1.94
XLogP3
2
Consensus LogP
2.05
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
Class (SILICOS-IT)
Moderately 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)
-2.22

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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