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CAS 190-24-9 1.12,2.3,4.5,6.7,8.9,10.11-HEXABENZOCORONENE molecular structure lightbox
CAS RN: 190-24-9

1.12,2.3,4.5,6.7,8.9,10.11-HEXABENZOCORONENE

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251011 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260319 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batchno.20251123 1g In stock Shenzhen, Tianjin Inquiry
Batchno.20250819 250mg In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20250517 50mg In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-089001
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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
  • 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 190-24-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

190-24-9 / tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1(42),2,4(41),5,7,9(14),10,12,15,17,19,21,23,25,27,29,31(36),32,34,37,39-henicosaene

Standard CAS: 190-24-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
190-24-9
Multi CAS
No
Molecular Formula
C42H18
Molecular Weight
522.600000
Exact Mass
522.140851
SMILES
C1=CC2=C3C=CC=C4C3=C5C6=C2C(=C1)C7=C8C6=C9C1=C(C8=CC=C7)C=CC=C1C1=CC=CC2=C1C9=C5C1=C4C=CC=C21
InChI
InChI=1S/C42H18/c1-7-19-21-9-2-11-23-25-13-4-15-27-29-17-6-18-30-28-16-5-14-26-24-12-3-10-22-20(8-1)31(19)37-38(32(21)23)40(34(25)27)42(36(29)30)41(35(26)28)39(37)33(22)24/h1-18H
InChIKey
IVJZBYVRLJZOOQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
42
Molar refractivity
183.63
TPSA
0.0000

LogP / Solubility

WLOGP
12.15
MLOGP
10.73
XLogP3
12
Consensus LogP
11.63
Log S (ESOL)
-11.48
Class (ESOL)
Insoluble
Log S (Ali)
-12.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.14
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
2.72

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9

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