CAS RN: 5103-71-9
CIS-CHLORDANE
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251113 | 1ml | In stock | Inquiry |
- Product code: starshine_CAS5103-71-9
- Purity/Analytical Methods: >99.0%
5103-71-9 / 1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene
Basic Information
CAS
5103-71-9
Multi CAS
Yes
Molecular Formula
C10H6CL8
Molecular Weight
409.800000
Exact Mass
409.791872
InChI
InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2/t2-,3-,4-,5-,8+,9-/m1/s1
InChIKey
BIWJNBZANLAXMG-IDTQJTQFSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.8
Molar refractivity
81.22
TPSA
0.0000
LogP / Solubility
WLOGP
5.68
MLOGP
5.03
XLogP3
4.9
Consensus LogP
5.2
Log S (ESOL)
-5.96
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.04
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)
-1.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5
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