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CAS 1190363-46-2 (6S,9R)-6-(2,3-Difluorophenyl)-6,7,8,9-tetrahydro-9-[[tris(1-methylethyl)silyl]oxy]-5H-cyclohepta[b]pyridin-5-one molecular structure lightbox
CAS RN: 1190363-46-2

(6S,9R)-6-(2,3-Difluorophenyl)-6,7,8,9-tetrahydro-9-[[tris(1-methylethyl)silyl]oxy]-5H-cyclohepta[b]pyridin-5-one

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251222 100mg / 250mg / 500mg / 1g Confirm by inquiry Shanghai 15 business days Inquiry
  • Product code: SSC-019475
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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 1190363-46-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1190363-46-2 / (6S,9R)-6-(2,3-difluorophenyl)-9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydrocyclohepta[b]pyridin-5-one

(6S,9R)-6-(2,3-Difluorophenyl)-6,7,8,9-tetrahydro-9-[[tris(1-methylethyl)silyl]oxy]-5H-cyclohepta[b]pyridin-5-one | 5H-Cyclohepta[b]pyridin-5-one, 6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-9-[[tris(1-methylethyl)silyl]oxy]-, (6S,9R)- | MFCD28387029

Standard CAS: 1190363-46-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1190363-46-2
Multi CAS
Yes
Molecular Formula
C25H33F2NO2Si
Molecular Weight
445.600000
Exact Mass
445.224862
SMILES
CC(C)[Si](C(C)C)(C(C)C)O[C@@H]1CC[C@H](C(=O)C2=C1N=CC=C2)C3=C(C(=CC=C3)F)F
InChI
InChI=1S/C25H33F2NO2Si/c1-15(2)31(16(3)4,17(5)6)30-22-13-12-19(18-9-7-11-21(26)23(18)27)25(29)20-10-8-14-28-24(20)22/h7-11,14-17,19,22H,12-13H2,1-6H3/t19-,22+/m0/s1
InChIKey
AIVVBBARCYSYDU-SIKLNZKXSA-N
Synonyms
(6S,9R)-6-(2,3-Difluorophenyl)-6,7,8,9-tetrahydro-9-[[tris(1-methylethyl)silyl]oxy]-5H-cyclohepta[b]pyridin-5-one 5H-Cyclohepta[b]pyridin-5-one, 6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-9-[[tris(1-methylethyl)silyl]oxy]-, (6S,9R)- MFCD28387029 (6S,9R)-6-(2,3-Difluorophenyl)-9-((triisopropylsilyl)oxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-one (6S,9R)-6-(2,3-Difluorophenyl)-9-[(triisopropylsilyl)oxy]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-one

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.52
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
121.77
TPSA
39.19

LogP / Solubility

WLOGP
7.35
MLOGP
6.5
XLogP3
7.35
Consensus LogP
7.07
Log S (ESOL)
-7.13
Class (ESOL)
Insoluble
Log S (Ali)
-8.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.38
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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