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CAS 13560-89-9 Escapeflam DK-15 molecular structure lightbox
CAS RN: 13560-89-9

Escapeflam DK-15

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251029 1g In stock Shanghai Inquiry
Batchno.20251223 250mg In stock Shanghai, Guangdong Inquiry
Batchno.20250715 50mg In stock Shandong, Guangdong Inquiry
  • Product code: starshine_CAS13560-89-9
  • Purity/Analytical Methods: >99.0%
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13560-89-9 / 1,6,7,8,9,14,15,16,17,17,18,18-dodecachloropentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene

Standard CAS: 13560-89-9 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
13560-89-9
Multi CAS
No
Molecular Formula
C18H12Cl12
Molecular Weight
653.700000
Exact Mass
653.711282
SMILES
C1CC2C(CCC3C1C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl)C5(C(=C(C2(C5(Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C18H12Cl12/c19-9-10(20)15(25)7-3-4-8-6(2-1-5(7)13(9,23)17(15,27)28)14(24)11(21)12(22)16(8,26)18(14,29)30/h5-8H,1-4H2
InChIKey
UGQQAJOWXNCOPY-UHFFFAOYSA-N

Physical Properties

Melting Point
>325 °C
Density
1.8 g/cu cm
Physical Description
Dry Powder Colorless solid; [Merck Index] White odorless solid; [HSDB] White odorless free-flowing powder
Appearance
Colorless crystals White crystalline powder
State
Solid
Storage Conditions
Store and handle in accordance with all current regulations and standards. Keep container tightly closed and properly labeled. Keep dry. Keep separated from incompatible substances ... .

Computed Properties

Structural Parameters

Heavy atom count
30
Fraction Csp3
0.78
Molar refractivity
133.1
TPSA
0.0000

LogP / Solubility

WLOGP
9.72
MLOGP
8.6
XLogP3
8
Consensus LogP
8.77
Log S (ESOL)
-10.01
Class (ESOL)
Insoluble
Log S (Ali)
-11.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.97
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.19

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
10

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 292 of 310 companies (only 5.8% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

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