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CAS 31323-44-1 OCTACHLOROTRISILOXANE molecular structure lightbox
CAS RN: 31323-44-1

OCTACHLOROTRISILOXANE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260626 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS31323-44-1
  • Purity/Analytical Methods: >99.0%
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31323-44-1 / trichloro-[dichloro(trichlorosilyloxy)silyl]oxysilane

Standard CAS: 31323-44-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
31323-44-1
Multi CAS
Yes
Molecular Formula
CL8O2SI3
Molecular Weight
399.900000
Exact Mass
399.665530
InChI
InChI=1S/Cl8O2Si3/c1-11(2,3)9-13(7,8)10-12(4,5)6
InChIKey
CLXMTJZPFVPWAX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
66.26
TPSA
18.46

LogP / Solubility

WLOGP
4.24
MLOGP
3.75
XLogP3
4.24
Consensus LogP
4.08
Log S (ESOL)
-4.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.26
Class (SILICOS-IT)
Insoluble

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)
-2.15

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
1.5

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