CAS RN: 5103-73-1
CIS-NONACHLOR
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251028 | 1ml | In stock | Inquiry |
- Product code: starshine_CAS5103-73-1
- Purity/Analytical Methods: >99.0%
5103-73-1 / 1,3,4,5,7,8,9,10,10-nonachlorotricyclo[5.2.1.02,6]dec-8-ene
Basic Information
CAS
5103-73-1
Multi CAS
Yes
Molecular Formula
C10H5CL9
Molecular Weight
444.200000
Exact Mass
443.752899
InChI
InChI=1S/C10H5Cl9/c11-3-1-2(4(12)5(3)13)9(17)7(15)6(14)8(1,16)10(9,18)19/h1-5H
InChIKey
OCHOKXCPKDPNQU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.8
Molar refractivity
86.24
TPSA
0.0000
LogP / Solubility
WLOGP
5.9
MLOGP
5.22
XLogP3
5.2
Consensus LogP
5.44
Log S (ESOL)
-6.31
Class (ESOL)
Insoluble
Log S (Ali)
-7.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.44
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)
-1.24
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
6.5
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