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CAS 1504-58-1 3-Phenyl-2-propyn-1-ol molecular structure lightbox
CAS RN: 1504-58-1

3-Phenyl-2-propyn-1-ol

Product Availability

Choose a grade to view its available package options.

6 package records4 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260209 1g In stock Shanghai, Shandong Inquiry
Batchno.20250717 25g In stock Shanghai, Guangdong Inquiry
Batchno.20250407 5g In stock Shanghai, Guangdong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250520 1g Out of stock 8-10 business days Inquiry
Batchno.20250612 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250302 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-060349
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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: 25g
  • 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 1504-58-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Shenzhen Inquiry

1504-58-1 / 3-phenylprop-2-yn-1-ol

Standard CAS: 1504-58-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1504-58-1
Multi CAS
No
Molecular Formula
C9H8O
Molecular Weight
132.160000
Exact Mass
132.057515
SMILES
C1=CC=C(C=C1)C#CCO
InChI
InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,8H2
InChIKey
NITUNGCLDSFVDL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.41
TPSA
20.23

LogP / Solubility

WLOGP
1.03
MLOGP
0.9
XLogP3
1.4
Consensus LogP
1.11
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-1.39
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.37
Class (SILICOS-IT)
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)
-2.79

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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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