CAS RN: 937202-23-8

(s)-[trimethylsiloxy(diphenyl)methyl]pyrrolidine

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Batchno.20250215 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS937202-23-8
  • Purity/Analytical Methods: >99.0%
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937202-23-8 / trimethyl-[(2-phenylphenyl)-pyrrolidin-1-ylmethoxy]silane

Standard CAS: 937202-23-8 Multi CAS: Yes

Basic Information

CAS
937202-23-8
Multi CAS
Yes
Molecular Formula
C20H27NOSi
Molecular Weight
325.500000
Exact Mass
325.186191
InChI
InChI=1S/C20H27NOSi/c1-23(2,3)22-20(21-15-9-10-16-21)19-14-8-7-13-18(19)17-11-5-4-6-12-17/h4-8,11-14,20H,9-10,15-16H2,1-3H3
InChIKey
LMLUYAKHMBKFSS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
99.86
TPSA
12.47

LogP / Solubility

WLOGP
5.3
MLOGP
4.68
XLogP3
5.3
Consensus LogP
5.09
Log S (ESOL)
-5.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.77
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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