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CAS 1395078-43-9 (R)-2-((tert-butyldimethylsilyl)oxy)-1-(4-chloro-3-fluorophenyl)ethanol molecular structure lightbox
CAS RN: 1395078-43-9

(R)-2-((tert-butyldimethylsilyl)oxy)-1-(4-chloro-3-fluorophenyl)ethanol

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260620 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1395078-43-9
  • Purity/Analytical Methods: >99.0%
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1395078-43-9 / (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(4-chloro-3-fluorophenyl)ethanol

Standard CAS: 1395078-43-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1395078-43-9
Multi CAS
No
Molecular Formula
C14H22ClFO2Si
Molecular Weight
304.860000
Exact Mass
304.106162
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H](C1=CC(=C(C=C1)Cl)F)O
InChI
InChI=1S/C14H22ClFO2Si/c1-14(2,3)19(4,5)18-9-13(17)10-6-7-11(15)12(16)8-10/h6-8,13,17H,9H2,1-5H3/t13-/m0/s1
InChIKey
KTBITCVLPAOFPE-ZDUSSCGKSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
79.52
TPSA
29.46

LogP / Solubility

WLOGP
4.53
MLOGP
4
XLogP3
4.53
Consensus LogP
4.35
Log S (ESOL)
-4.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.89
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-1.36

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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