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CAS 89530-34-7 1-PHENYL-3-(TRIMETHYLSILYL)-2-PROPYN-1-& molecular structure lightbox
CAS RN: 89530-34-7

1-PHENYL-3-(TRIMETHYLSILYL)-2-PROPYN-1-&

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251113 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS89530-34-7
  • Purity/Analytical Methods: >99.0%
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89530-34-7 / 1-phenyl-3-trimethylsilylprop-2-yn-1-ol

Standard CAS: 89530-34-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
89530-34-7
Multi CAS
Yes
Molecular Formula
C12H16OSi
Molecular Weight
204.340000
Exact Mass
204.097042
InChI
InChI=1S/C12H16OSi/c1-14(2,3)10-9-12(13)11-7-5-4-6-8-11/h4-8,12-13H,1-3H3
InChIKey
RVTDALNDYLDVMN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
62.52
TPSA
20.23

LogP / Solubility

WLOGP
2.6
MLOGP
2.29
XLogP3
2.6
Consensus LogP
2.5
Log S (ESOL)
-3
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
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)
-2.12

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
2

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