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CAS 18414-38-5 DI-P-TOLYLDICHLOROSILANE molecular structure lightbox
CAS RN: 18414-38-5

DI-P-TOLYLDICHLOROSILANE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251024 10g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS18414-38-5
  • Purity/Analytical Methods: >99.0%
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18414-38-5 / dichloro-bis(4-methylphenyl)silane

Standard CAS: 18414-38-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18414-38-5
Multi CAS
No
Molecular Formula
C14H14Cl2Si
Molecular Weight
281.200000
Exact Mass
280.024182
SMILES
CC1=CC=C(C=C1)[Si](C2=CC=C(C=C2)C)(Cl)Cl
InChI
InChI=1S/C14H14Cl2Si/c1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKey
JRAHXNQYHZPMCW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
2
Molar refractivity
79.09
TPSA
0.0000

LogP / Solubility

WLOGP
3.34
MLOGP
2.95
XLogP3
3.34
Consensus LogP
3.21
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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