[email protected]
CAS 53494-70-5 ENDRIN KETONE molecular structure lightbox
CAS RN: 53494-70-5

ENDRIN KETONE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250131 10mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS53494-70-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

53494-70-5 / 1,2,2,3,10,11-hexachloropentacyclo[5.4.1.03,10.04,12.05,9]dodecan-8-one

Standard CAS: 53494-70-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
53494-70-5
Multi CAS
Yes
Molecular Formula
C12H8CL6O
Molecular Weight
380.900000
Exact Mass
379.867681
InChI
InChI=1S/C12H8Cl6O/c13-8-9(14)6-2-1-3(7(6)19)4-5(2)11(9,16)12(17,18)10(4,8)15/h2-6,8H,1H2
InChIKey
IZHZFAQWVKBTSL-UHFFFAOYSA-N

Physical Properties

Physical Description
White solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.92
H-bond acceptors
1
Molar refractivity
76.9
TPSA
17.07

LogP / Solubility

WLOGP
3.81
MLOGP
3.37
XLogP3
3.2
Consensus LogP
3.46
Log S (ESOL)
-4.6
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.3
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-2.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

Customers Also Viewed

Get In Touch

Contact Us