[email protected]
CAS 1101840-74-7 tert-butyl 4-oxo-6-azaspiro[2.5]octane-6-carboxylate molecular structure lightbox
CAS RN: 1101840-74-7

tert-butyl 4-oxo-6-azaspiro[2.5]octane-6-carboxylate

  • Product code: SSC-011383
GET A QUOTE
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: 0.1g, 0.25g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1101840-74-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Hong Kong Inquiry
0.25g ＞97% 0 Out of Stock Beijing Inquiry

1101840-74-7 / tert-butyl 8-oxo-6-azaspiro[2.5]octane-6-carboxylate

TERT-BUTYL 4-OXO-6-AZASPIRO[2.5]OCTANE-6-CARBOXYLATE | DTXSID30735772 | tert-butyl 4-oxo-6-azaspiro(2.5)octane-6-carboxylate

Standard CAS: 1101840-74-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1101840-74-7
Multi CAS
No
Molecular Formula
C12H19NO3
Molecular Weight
225.280000
Exact Mass
225.136493
SMILES
CC(C)(C)OC(=O)N1CCC2(CC2)C(=O)C1
InChI
InChI=1S/C12H19NO3/c1-11(2,3)16-10(15)13-7-6-12(4-5-12)9(14)8-13/h4-8H2,1-3H3
InChIKey
UCGIBIIHRXRKHW-UHFFFAOYSA-N
Synonyms
TERT-BUTYL 4-OXO-6-AZASPIRO[2.5]OCTANE-6-CARBOXYLATE DTXSID30735772 tert-butyl 4-oxo-6-azaspiro(2.5)octane-6-carboxylate RefChem:894114 DTXCID10686516

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
59.1
TPSA
46.61

LogP / Solubility

WLOGP
1.98
MLOGP
1.74
XLogP3
1.4
Consensus LogP
1.71
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us