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CAS 3443-45-6 1-Pyrenebutyric Acid molecular structure lightbox
CAS RN: 3443-45-6

1-Pyrenebutyric Acid

Product Availability

Choose a grade to view its available package options.

9 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260428 100g In stock Shanghai Inquiry
Batchno.20250415 10g In stock Shanghai, Shenzhen Inquiry
Batchno.20260627 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260112 25g In stock Shanghai Inquiry
Batchno.20260409 500g Out of stock Inquiry
Batchno.20250615 5g In stock Shanghai, Wuhan Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250521 1g In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20260304 25g In stock Shandong Inquiry
Batchno.20250703 5g In stock Shanghai, Shandong Inquiry
  • Product code: SSC-140873
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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: 25g
  • 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 3443-45-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

3443-45-6 / 4-pyren-1-ylbutanoic acid

Standard CAS: 3443-45-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
3443-45-6
Multi CAS
Yes
Molecular Formula
C20H16O2
Molecular Weight
288.300000
Exact Mass
288.115030
InChI
InChI=1S/C20H16O2/c21-18(22)6-2-3-13-7-8-16-10-9-14-4-1-5-15-11-12-17(13)20(16)19(14)15/h1,4-5,7-12H,2-3,6H2,(H,21,22)
InChIKey
QXYRRCOJHNZVDJ-UHFFFAOYSA-N

Physical Properties

Physical Description
Light brown powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
16
Fraction Csp3
0.15
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
90.72
TPSA
37.3

LogP / Solubility

WLOGP
4.99
MLOGP
4.4
XLogP3
5.1
Consensus LogP
4.83
Log S (ESOL)
-5.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.16
Class (SILICOS-IT)
Insoluble

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)
-0.94

Drug-likeness / Medicinal Chemistry

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

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