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CAS 161678-38-2 Octa(γ-Chloropropyl) Poss molecular structure lightbox
CAS RN: 161678-38-2

Octa(γ-Chloropropyl) Poss

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3 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250619 1g In stock Inquiry
Batchno.20250805 5g Out of stock Inquiry
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Batchno.20260611 200mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS161678-38-2
  • Purity/Analytical Methods: >99.0%
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161678-38-2 / 1,3,5,7,9,11,13,15-octakis(3-chloropropyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane

Standard CAS: 161678-38-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
161678-38-2
Multi CAS
No
Molecular Formula
C24H48Cl8O12Si8
Molecular Weight
1036.900000
Exact Mass
1035.874911
SMILES
C(C[Si]12O[Si]3(O[Si]4(O[Si](O1)(O[Si]5(O[Si](O2)(O[Si](O3)(O[Si](O4)(O5)CCCCl)CCCCl)CCCCl)CCCCl)CCCCl)CCCCl)CCCCl)CCl
InChI
InChI=1S/C24H48Cl8O12Si8/c25-9-1-17-45-33-46(18-2-10-26)36-49(21-5-13-29)38-47(34-45,19-3-11-27)40-51(23-7-15-31)41-48(35-45,20-4-12-28)39-50(37-46,22-6-14-30)43-52(42-49,44-51)24-8-16-32/h1-24H2
InChIKey
ZGVGINHDXPKEAB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
52
Fraction Csp3
1
Rotatable bonds
24
H-bond acceptors
12
Molar refractivity
220.2
TPSA
110.76

LogP / Solubility

WLOGP
8.8
MLOGP
7.84
XLogP3
8.8
Consensus LogP
8.48
Log S (ESOL)
-10.23
Class (ESOL)
Insoluble
Log S (Ali)
-14.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.58
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.8

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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