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CAS 16356-02-8 1,4-Dimethoxy-2-butyne molecular structure lightbox
CAS RN: 16356-02-8

1,4-Dimethoxy-2-butyne

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250901 1g In stock Shandong Inquiry
Batchno.20260220 250mg In stock Shanghai Inquiry
Batchno.20260219 5g In stock Shanghai, Shandong Inquiry
  • Product code: SSC-071049
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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: ＞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 16356-02-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

16356-02-8 / 1,4-dimethoxybut-2-yne

Standard CAS: 16356-02-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
16356-02-8
Multi CAS
No
Molecular Formula
C6H10O2
Molecular Weight
114.140000
Exact Mass
114.068080
SMILES
COCC#CCOC
InChI
InChI=1S/C6H10O2/c1-7-5-3-4-6-8-2/h5-6H2,1-2H3
InChIKey
YFUQYYGBJJCAPR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
31.53
TPSA
18.46

LogP / Solubility

WLOGP
0.28
MLOGP
0.24
Consensus LogP
0.17
Log S (ESOL)
-0.59
Class (ESOL)
Very soluble
Log S (Ali)
-0.7
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.88
Class (SILICOS-IT)
Very 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)
-3.22

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
Signal
Warning
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501

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