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CAS 39969-26-1 1-[2-(4-Methoxyphenyl)-1-ethynyl]-4-propylbenzene molecular structure lightbox
CAS RN: 39969-26-1

1-[2-(4-Methoxyphenyl)-1-ethynyl]-4-propylbenzene

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260524 10g In stock Shanghai Inquiry
Batchno.20250125 1g In stock Shanghai Inquiry
Batchno.20250203 25g In stock Shanghai Inquiry
Batchno.20251029 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260311 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-147802
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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: 10g
  • Available purity: ＞97%
  • 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 39969-26-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Shenzhen Inquiry

39969-26-1 / 1-methoxy-4-[2-(4-propylphenyl)ethynyl]benzene

Standard CAS: 39969-26-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
39969-26-1
Multi CAS
No
Molecular Formula
C18H18O
Molecular Weight
250.300000
Exact Mass
250.135765
InChI
InChI=1S/C18H18O/c1-3-4-15-5-7-16(8-6-15)9-10-17-11-13-18(19-2)14-12-17/h5-8,11-14H,3-4H2,1-2H3
InChIKey
NPCKVHHCQBJJIS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
79.41
TPSA
9.23

LogP / Solubility

WLOGP
4.05
MLOGP
3.57
XLogP3
5.3
Consensus LogP
4.31
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.01
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.37

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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