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CAS 1694495-59-4 Alkyne tyramide molecular structure lightbox
CAS RN: 1694495-59-4

Alkyne tyramide

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260226 250mg In stock Inquiry
Batchno.20250611 50mg In stock Inquiry
  • Product code: SSC-074037
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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: 0.25g
  • 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 1694495-59-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1694495-59-4 / N-[2-(4-hydroxyphenyl)ethyl]pent-4-ynamide

Standard CAS: 1694495-59-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1694495-59-4
Multi CAS
No
Molecular Formula
C13H15NO2
Molecular Weight
217.260000
Exact Mass
217.110279
SMILES
C#CCCC(=O)NCCC1=CC=C(C=C1)O
InChI
InChI=1S/C13H15NO2/c1-2-3-4-13(16)14-10-9-11-5-7-12(15)8-6-11/h1,5-8,15H,3-4,9-10H2,(H,14,16)
InChIKey
CQZJBJSXQYZLEX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.31
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
62.89
TPSA
49.33

LogP / Solubility

WLOGP
1.46
MLOGP
1.29
XLogP3
1.7
Consensus LogP
1.48
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
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)
-3.01

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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