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CAS 189-64-0 Dibenzo[b,def]chrysene molecular structure lightbox
CAS RN: 189-64-0

Dibenzo[b,def]chrysene

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250429 10mg In stock Shanghai, Shandong Inquiry
Batchno.20250605 50mg In stock Shanghai Inquiry
  • Product code: ICTD1005
  • Purity/Analytical Methods: >98.0%(GC)
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189-64-0 / hexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2,4,6,8,10,12(24),13,15,17,19,21-dodecaene

Standard CAS: 189-64-0 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
189-64-0
Multi CAS
No
Molecular Formula
C24H14
Molecular Weight
302.400000
Exact Mass
302.109550
SMILES
C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC6=CC=CC=C56)C=C3
InChI
InChI=1S/C24H14/c1-3-7-19-15(5-1)13-17-9-12-22-20-8-4-2-6-16(20)14-18-10-11-21(19)23(17)24(18)22/h1-14H
InChIKey
RXUSYFJGDZFVND-UHFFFAOYSA-N

Physical Properties

Melting Point
318 °C
Physical Description
Dibenzo(a,h)pyrene appears as yellow odorless crystals or flakes. Water insoluble. Golden yellow solid; [HSDB] White solid; Insoluble in water
Appearance
Golden-yellow plates, recrystallized from xylene or trichlorobenzene Orange plates
State
Solid
Storage Conditions
PRECAUTIONS FOR "CARCINOGENS": Storage site should be as close as practical to lab in which carcinogens are to be used, so that only small quantities required for ... expt need to be carried. Carcinogens should be kept in only one section of cupboard, an explosion-proof refrigerator or freezer (depending on chemicophysical properties ...) that bears appropriate label. An inventory ... should be kept, showing quantity of carcinogen & date it was acquired ... Facilities for dispensing ... should be contiguous to storage area. /Chemical Carcinogens/

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
Consensus LogP
6.66
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)
Health Hazard Environmental Hazard
Signal
Danger Warning
GHS Hazard Statements
H341: Suspected of causing genetic defects [Warning Germ cell mutagenicity] H350: May cause cancer [Danger Carcinogenicity] H341 (56.5%): Suspected of causing genetic defects [Warning Germ cell mutagenicity] H350 (82.6%): May cause cancer [Danger Carcinogenicity] H400 (26.1%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P203, P280, P318, P405, and P501 P203, P273, P280, P318, P391, P405, and P501

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