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CAS 1190363-45-1 (R)-9-((triisopropylsilyl)oxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-onehydrochloride molecular structure lightbox
CAS RN: 1190363-45-1

(R)-9-((triisopropylsilyl)oxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-onehydrochloride

  • Product code: SSC-019474
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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 1190363-45-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1190363-45-1 / (9R)-9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydrocyclohepta[b]pyridin-5-one

(R)-9-((triisopropylsilyl)oxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-one | 5H-Cyclohepta[b]pyridin-5-one, 6,7,8,9-tetrahydro-9-[[tris(1-methylethyl)silyl]oxy]-, (9R)- | (R)-9-(triisopropylsilyloxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-one

Standard CAS: 1190363-45-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1190363-45-1
Multi CAS
Yes
Molecular Formula
C19H31NO2Si
Molecular Weight
333.500000
Exact Mass
333.212406
SMILES
CC(C)[Si](C(C)C)(C(C)C)O[C@@H]1CCCC(=O)C2=C1N=CC=C2
InChI
InChI=1S/C19H31NO2Si/c1-13(2)23(14(3)4,15(5)6)22-18-11-7-10-17(21)16-9-8-12-20-19(16)18/h8-9,12-15,18H,7,10-11H2,1-6H3/t18-/m1/s1
InChIKey
LZTSMPYESKABAS-GOSISDBHSA-N
Synonyms
(R)-9-((triisopropylsilyl)oxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-one 5H-Cyclohepta[b]pyridin-5-one, 6,7,8,9-tetrahydro-9-[[tris(1-methylethyl)silyl]oxy]-, (9R)- (R)-9-(triisopropylsilyloxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-one MFCD28387028 (R)-9-[(Triisopropylsilyl)oxy]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-one

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.68
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
97.29
TPSA
39.19

LogP / Solubility

WLOGP
5.68
MLOGP
5.02
XLogP3
5.68
Consensus LogP
5.46
Log S (ESOL)
-5.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.14
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-0.72

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
3

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