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CAS 79887-09-5 1-Butyl-4-ethynylbenzene molecular structure lightbox
CAS RN: 79887-09-5

1-Butyl-4-ethynylbenzene

Product Availability

Choose a grade to view its available package options.

9 package records8 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260224 100g In stock Inquiry
Batchno.20250114 10g In stock Inquiry
Batchno.20250328 25g In stock Inquiry
Batchno.20250701 500g Out of stock Inquiry
Batchno.20251210 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260326 100g In stock Shanghai Inquiry
Batchno.20260623 25g In stock Shanghai, Shandong Inquiry
Batchno.20250423 5g In stock Shanghai, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250323 25g In stock Shanghai, Shandong Inquiry
  • Product code: SSC-188908
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 10ml, 25ml, 5ml, 1ml, 100ml
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 79887-09-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
10ml >95% 2 In Stock Shenzhen Inquiry
25ml >95% 2 In Stock Shanghai Inquiry
5ml >95% 1 In Stock Hong Kong Inquiry
1ml >95% 0 Out of Stock Beijing Inquiry
100ml >95% 0 Out of Stock Hong Kong Inquiry

79887-09-5 / 1-butyl-4-ethynylbenzene

Standard CAS: 79887-09-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
79887-09-5
Multi CAS
No
Molecular Formula
C12H14
Molecular Weight
158.240000
Exact Mass
158.109550
InChI
InChI=1S/C12H14/c1-3-5-6-12-9-7-11(4-2)8-10-12/h2,7-10H,3,5-6H2,1H3
InChIKey
ZVWWYEHVIRMJIE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
Molar refractivity
52.99
TPSA
0.0000

LogP / Solubility

WLOGP
3.01
MLOGP
2.64
XLogP3
4
Consensus LogP
3.22
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
Class (SILICOS-IT)
Poorly 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)
-1.55

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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