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CAS 30413-53-7 3-ethynyl-5-Methylpyridine molecular structure lightbox
CAS RN: 30413-53-7

3-ethynyl-5-Methylpyridine

Product Availability

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251124 100mg In stock Shanghai Inquiry
Batchno.20250709 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batchno.20260506 1g In stock Shanghai Inquiry
Batchno.20260313 250mg In stock Shanghai Inquiry
Batchno.20251207 5g Out of stock Inquiry
  • Product code: SSC-134828
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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: 1g
  • 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 30413-53-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

30413-53-7 / 3-ethynyl-5-methylpyridine

Standard CAS: 30413-53-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
30413-53-7
Multi CAS
No
Molecular Formula
C8H7N
Molecular Weight
117.150000
Exact Mass
117.057849
InChI
InChI=1S/C8H7N/c1-3-8-4-7(2)5-9-6-8/h1,4-6H,2H3
InChIKey
FXIMYOJUVHJRRD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
36.91
TPSA
12.89

LogP / Solubility

WLOGP
1.37
MLOGP
1.2
XLogP3
1.5
Consensus LogP
1.36
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
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)
-2.46

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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