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CAS 1538579-23-5 2,5-Bis(2-propynyloxy)terephthalaldehyde molecular structure lightbox
CAS RN: 1538579-23-5

2,5-Bis(2-propynyloxy)terephthalaldehyde

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251122 100mg In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20250402 1g In stock Shanghai Inquiry
Batchno.20250418 500mg In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20250528 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-063231
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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 1538579-23-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1538579-23-5 / 2,5-bis(prop-2-ynoxy)terephthalaldehyde

Standard CAS: 1538579-23-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1538579-23-5
Multi CAS
No
Molecular Formula
C14H10O4
Molecular Weight
242.230000
Exact Mass
242.057909
SMILES
C#CCOC1=CC(=C(C=C1C=O)OCC#C)C=O
InChI
InChI=1S/C14H10O4/c1-3-5-17-13-7-12(10-16)14(18-6-4-2)8-11(13)9-15/h1-2,7-10H,5-6H2
InChIKey
LXIGMDZIEMIPTI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
65.87
TPSA
52.6

LogP / Solubility

WLOGP
1.34
MLOGP
1.18
XLogP3
1
Consensus LogP
1.17
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
Class (SILICOS-IT)
Poorly 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)
-3.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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