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CAS 67000-89-9 1-PYRENEBUTANOL molecular structure lightbox
CAS RN: 67000-89-9

1-PYRENEBUTANOL

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260203 100mg In stock Shanghai Inquiry
Batchno.20250824 100mg / 500mg / 1g Confirm by inquiry Shanghai Inquiry
Batchno.20260409 10g In stock Shanghai Inquiry
Batchno.20251221 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250919 250mg In stock Shanghai Inquiry
Batchno.20250302 5g In stock Shanghai Inquiry
  • Product code: SSC-176668
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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: 0.25g
  • 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 67000-89-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 0 Out of Stock Beijing Inquiry

67000-89-9 / 4-pyren-1-ylbutan-1-ol

Standard CAS: 67000-89-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
67000-89-9
Multi CAS
No
Molecular Formula
C20H18O
Molecular Weight
274.400000
Exact Mass
274.135765
InChI
InChI=1S/C20H18O/c21-13-2-1-4-14-7-8-17-10-9-15-5-3-6-16-11-12-18(14)20(17)19(15)16/h3,5-12,21H,1-2,4,13H2
InChIKey
MRENSFROWALQNU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
16
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
90.17
TPSA
20.23

LogP / Solubility

WLOGP
4.9
MLOGP
4.32
XLogP3
5.3
Consensus LogP
4.84
Log S (ESOL)
-4.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.99
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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