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CAS 55486-13-0 1-PYRENEBUTANOIC ACID, HYDRAZIDE molecular structure lightbox
CAS RN: 55486-13-0

1-PYRENEBUTANOIC ACID, HYDRAZIDE

Product Availability

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7 package records4 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250716 100mg In stock Inquiry
Batchno.20251023 500mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260425 100mg Out of stock Inquiry
Batchno.20250614 250mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260517 100mg In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20250622 1g Out of stock 15 business days Inquiry
Batchno.20250418 500mg In stock Shanghai Inquiry
  • Product code: SSC-163403
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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: ≥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 55486-13-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

55486-13-0 / 4-pyren-1-ylbutanehydrazide

Standard CAS: 55486-13-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55486-13-0
Multi CAS
Yes
Molecular Formula
C20H18N2O
Molecular Weight
302.400000
Exact Mass
302.141913
InChI
InChI=1S/C20H18N2O/c21-22-18(23)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,2-3,6,21H2,(H,22,23)
InChIKey
SOPPDVMSOKMZOC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
16
Fraction Csp3
0.15
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
95.41
TPSA
55.12

LogP / Solubility

WLOGP
3.9
MLOGP
3.44
XLogP3
4.2
Consensus LogP
3.85
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.85
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.34
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.8

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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