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CAS 192643-83-7 3-Butyn-1-ol, 4-(4-pyridinyl)- (9CI) molecular structure lightbox
CAS RN: 192643-83-7

3-Butyn-1-ol, 4-(4-pyridinyl)- (9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260221 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-090110
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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, 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 192643-83-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

192643-83-7 / 4-pyridin-4-ylbut-3-yn-1-ol

Standard CAS: 192643-83-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
192643-83-7
Multi CAS
No
Molecular Formula
C9H9NO
Molecular Weight
147.170000
Exact Mass
147.068414
SMILES
C1=CN=CC=C1C#CCCO
InChI
InChI=1S/C9H9NO/c11-8-2-1-3-9-4-6-10-7-5-9/h4-7,11H,2,8H2
InChIKey
VQXIXEAYMBFYMT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.82
TPSA
33.12

LogP / Solubility

WLOGP
0.82
MLOGP
0.71
XLogP3
0.8
Consensus LogP
0.78
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.36
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.41
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)
-3.04

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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