[email protected]
CAS 1033608-31-9 tert-butyl 2′-oxo-1′-((2-(triMethylsilyl)ethoxy)Methyl)-1,1′,2′,3-tetrahydrospiro[indene-2,3′-pyrrolo[2,3-b]pyridine]-5-ylcarbaMate molecular structure lightbox
CAS RN: 1033608-31-9

tert-butyl 2′-oxo-1′-((2-(triMethylsilyl)ethoxy)Methyl)-1,1′,2′,3-tetrahydrospiro[indene-2,3′-pyrrolo[2,3-b]pyridine]-5-ylcarbaMate

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250928 250mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1033608-31-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1033608-31-9 / tert-butyl N-[2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[1,3-dihydroindene-2,3'-pyrrolo[2,3-b]pyridine]-5-yl]carbamate

tert-Butyl (2'-oxo-1'-((2-(trimethylsilyl)ethoxy)methyl)-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-5-yl)carbamate | tert-Butyl 2'-oxo-1'-((2-(trimethylsilyl)ethoxy)methyl)-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridine]-5-ylcarbamate | MFCD18251609

Standard CAS: 1033608-31-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1033608-31-9
Multi CAS
No
Molecular Formula
C26H35N3O4Si
Molecular Weight
481.700000
Exact Mass
481.239683
SMILES
CC(C)(C)OC(=O)NC1=CC2=C(CC3(C2)C4=C(N=CC=C4)N(C3=O)COCC[Si](C)(C)C)C=C1
InChI
InChI=1S/C26H35N3O4Si/c1-25(2,3)33-24(31)28-20-10-9-18-15-26(16-19(18)14-20)21-8-7-11-27-22(21)29(23(26)30)17-32-12-13-34(4,5)6/h7-11,14H,12-13,15-17H2,1-6H3,(H,28,31)
InChIKey
UFRJXAASIIJVBI-UHFFFAOYSA-N
Synonyms
tert-Butyl (2'-oxo-1'-((2-(trimethylsilyl)ethoxy)methyl)-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-5-yl)carbamate tert-Butyl 2'-oxo-1'-((2-(trimethylsilyl)ethoxy)methyl)-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridine]-5-ylcarbamate MFCD18251609 tert-butyl N-[2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[1,3-dihydroindene-2,3'-pyrrolo[2,3-b]pyridine]-5-yl]carbamate C26H35N3O4Si

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
136.08
TPSA
80.76

LogP / Solubility

WLOGP
5.12
MLOGP
4.54
XLogP3
5.12
Consensus LogP
4.93
Log S (ESOL)
-5.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.76
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

Customers Also Viewed

Get In Touch

Contact Us