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CAS 10147-11-2 3-Phenyl-1-propyne (stabilized with BHT) molecular structure lightbox
CAS RN: 10147-11-2

3-Phenyl-1-propyne (stabilized with BHT)

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260625 1g In stock Shanghai, Shandong, Chongqing, Hebei Inquiry
Batchno.20250722 250mg Out of stock 5-7 business days Inquiry
Batchno.20250611 5g In stock Shanghai Inquiry
  • Product code: SSC-002301
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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: 5g
  • 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 10147-11-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

10147-11-2 / prop-2-ynylbenzene

1-Phenyl-1-propyne | Methylphenylacetylene | 448376BFQC

Standard CAS: 10147-11-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10147-11-2
Multi CAS
Yes
Molecular Formula
C9H8
Molecular Weight
116.160000
Exact Mass
116.062600
SMILES
C#CCC1=CC=CC=C1
InChI
InChI=1S/C9H8/c1-2-6-9-7-4-3-5-8-9/h1,3-5,7-8H,6H2
InChIKey
NGKSKVYWPINGLI-UHFFFAOYSA-N
Synonyms
1-Phenyl-1-propyne Methylphenylacetylene 448376BFQC DTXSID10217667 RefChem:435501

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
1
Molar refractivity
38.98
TPSA
0.0000

LogP / Solubility

WLOGP
1.86
MLOGP
1.63
XLogP3
2.9
Consensus LogP
2.13
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.08
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)
-2.11

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)
Flammable Irritant
Signal
Warning
GHS Hazard Statements
H226 (91.3%): Flammable liquid and vapor [Warning Flammable liquids] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

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