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CAS 196-42-9 Naphtho[2,3-a]pyrene molecular structure lightbox
CAS RN: 196-42-9

Naphtho[2,3-a]pyrene

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260213 25mg In stock Shanghai, Shandong Inquiry
  • Product code: SSC-092635
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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: 0.1g
  • 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 196-42-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

196-42-9 / hexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1(23),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene

Standard CAS: 196-42-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
196-42-9
Multi CAS
No
Molecular Formula
C24H14
Molecular Weight
302.400000
Exact Mass
302.109550
SMILES
C1=CC=C2C=C3C4=C5C(=CC3=CC2=C1)C=CC6=C5C(=CC=C6)C=C4
InChI
InChI=1S/C24H14/c1-2-5-18-14-22-20(12-17(18)4-1)13-19-9-8-15-6-3-7-16-10-11-21(22)24(19)23(15)16/h1-14H
InChIKey
AXSJLZJXXUBRBS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
24
Molar refractivity
105.16
TPSA
0.0000

LogP / Solubility

WLOGP
6.89
MLOGP
6.08
XLogP3
7.3
Consensus LogP
6.76
Log S (ESOL)
-6.8
Class (ESOL)
Insoluble
Log S (Ali)
-7.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.34
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501

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