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CAS 1160247-87-9 Tert-Butyl 1-Oxo-1,2,3,5-Tetrahydrospiro[Benzo[C]Azepine-4,4′-Piperidine]-1′-Carboxylate molecular structure lightbox
CAS RN: 1160247-87-9

Tert-Butyl 1-Oxo-1,2,3,5-Tetrahydrospiro[Benzo[C]Azepine-4,4′-Piperidine]-1′-Carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250208 1g Out of stock 15 business days Inquiry
  • Product code: SSC-016090
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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 1160247-87-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1160247-87-9 / tert-butyl 1-oxospiro[3,5-dihydro-2H-2-benzazepine-4,4'-piperidine]-1'-carboxylate

tert-Butyl 1-oxo-1,2,3,5-tetrahydrospiro[benzo[c]azepine-4,4'-piperidine]-1'-carboxylate | MFCD12198645 | Tert-Butyl 1-Oxo-1,2,3,5-Tetrahydrospiro[Benzo[C]Azepine-4,4-Piperidine]-1-Carboxylate

Standard CAS: 1160247-87-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1160247-87-9
Multi CAS
No
Molecular Formula
C19H26N2O3
Molecular Weight
330.400000
Exact Mass
330.194343
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC3=CC=CC=C3C(=O)NC2
InChI
InChI=1S/C19H26N2O3/c1-18(2,3)24-17(23)21-10-8-19(9-11-21)12-14-6-4-5-7-15(14)16(22)20-13-19/h4-7H,8-13H2,1-3H3,(H,20,22)
InChIKey
RZEDOSUYWFGFTQ-UHFFFAOYSA-N
Synonyms
tert-Butyl 1-oxo-1,2,3,5-tetrahydrospiro[benzo[c]azepine-4,4'-piperidine]-1'-carboxylate MFCD12198645 Tert-Butyl 1-Oxo-1,2,3,5-Tetrahydrospiro[Benzo[C]Azepine-4,4-Piperidine]-1-Carboxylate tert-butyl 1-oxo-1,2,3,5-tetrahydrospiro[2-benzazepine-4,4'-piperidine]-1'-carboxylate tert-butyl 1-oxospiro[3,5-dihydro-2H-2-benzazepine-4,4'-piperidine]-1'-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
91.95
TPSA
58.64

LogP / Solubility

WLOGP
2.99
MLOGP
2.65
XLogP3
2.7
Consensus LogP
2.78
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.29
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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