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CAS 17061-86-8 1-Methoxy-4-(2-propyn-1-yloxy)-benzene molecular structure lightbox
CAS RN: 17061-86-8

1-Methoxy-4-(2-propyn-1-yloxy)-benzene

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250205 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-075087
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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 17061-86-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

17061-86-8 / 1-methoxy-4-prop-2-ynoxybenzene

Standard CAS: 17061-86-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17061-86-8
Multi CAS
No
Molecular Formula
C10H10O2
Molecular Weight
162.180000
Exact Mass
162.068080
SMILES
COC1=CC=C(C=C1)OCC#C
InChI
InChI=1S/C10H10O2/c1-3-8-12-10-6-4-9(11-2)5-7-10/h1,4-7H,8H2,2H3
InChIKey
YRHCGFRCOATEFD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
47.32
TPSA
18.46

LogP / Solubility

WLOGP
1.71
MLOGP
1.5
XLogP3
2
Consensus LogP
1.74
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
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)
-2.5

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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