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CAS 1179340-30-7 tert-butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate hydrochloride molecular structure lightbox
CAS RN: 1179340-30-7

tert-butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate hydrochloride

  • Product code: SSC-017767
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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 1179340-30-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1179340-30-7 / tert-butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate;hydrochloride

tert-butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate hydrochloride | MFCD15072068 | tert-butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate;hydrochloride

Standard CAS: 1179340-30-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1179340-30-7
Multi CAS
No
Molecular Formula
C13H25ClN2O3
Molecular Weight
292.800000
Exact Mass
292.155370
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CNCCO2.Cl
InChI
InChI=1S/C13H24N2O3.ClH/c1-12(2,3)18-11(16)15-7-4-13(5-8-15)10-14-6-9-17-13;/h14H,4-10H2,1-3H3;1H
InChIKey
ZCEFFZFAWWIMGT-UHFFFAOYSA-N
Synonyms
tert-butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate hydrochloride MFCD15072068 tert-butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate;hydrochloride TERT-BUTYL 1-OXA-4,9-DIAZASPIRO[5.5]UNDECANE-9-CARBOXYLATE HCL SCHEMBL1247006

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
75.84
TPSA
50.8

LogP / Solubility

WLOGP
1.8
MLOGP
1.59
XLogP3
1.8
Consensus LogP
1.73
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.06
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.23

Drug-likeness / Medicinal Chemistry

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

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