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CAS 251453-07-3 1-(4-METHOXYPHENYL)-1-CHLOROSILACYCLOBUTANE molecular structure lightbox
CAS RN: 251453-07-3

1-(4-METHOXYPHENYL)-1-CHLOROSILACYCLOBUTANE

  • Product code: SSC-120747
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 251453-07-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

251453-07-3 / 1-chloro-1-(4-methoxyphenyl)siletane

Standard CAS: 251453-07-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
251453-07-3
Multi CAS
No
Molecular Formula
C10H13ClOSi
Molecular Weight
212.750000
Exact Mass
212.042419
SMILES
COC1=CC=C(C=C1)[Si]2(CCC2)Cl
InChI
InChI=1S/C10H13ClOSi/c1-12-9-3-5-10(6-4-9)13(11)7-2-8-13/h3-6H,2,7-8H2,1H3
InChIKey
AAWBPQWOJOCPHO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
58.47
TPSA
9.23

LogP / Solubility

WLOGP
2.49
MLOGP
2.19
XLogP3
2.49
Consensus LogP
2.39
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.25

Drug-likeness / Medicinal Chemistry

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

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