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CAS 1179337-15-5 9-Boc-2,2-difluoro-1-oxa-4,9-diazaspiro[5.5]undecane molecular structure lightbox
CAS RN: 1179337-15-5

9-Boc-2,2-difluoro-1-oxa-4,9-diazaspiro[5.5]undecane

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250804 100mg Out of stock 1 business days Inquiry
  • Product code: SSC-017760
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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 1179337-15-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1179337-15-5 / tert-butyl 2,2-difluoro-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate

tert-Butyl 2,2-difluoro-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate | MFCD13193586 | 9-Boc-2,2-difluoro-1-oxa-4,9-diazaspiro[5.5]undecane

Standard CAS: 1179337-15-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1179337-15-5
Multi CAS
No
Molecular Formula
C13H22F2N2O3
Molecular Weight
292.320000
Exact Mass
292.159849
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CNCC(O2)(F)F
InChI
InChI=1S/C13H22F2N2O3/c1-11(2,3)19-10(18)17-6-4-12(5-7-17)8-16-9-13(14,15)20-12/h16H,4-9H2,1-3H3
InChIKey
QFFLDEOZINEKMT-UHFFFAOYSA-N
Synonyms
tert-Butyl 2,2-difluoro-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate MFCD13193586 9-Boc-2,2-difluoro-1-oxa-4,9-diazaspiro[5.5]undecane Tert-butyl2,2-difluoro-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate SCHEMBL2139544

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.67
TPSA
50.8

LogP / Solubility

WLOGP
1.97
MLOGP
1.74
XLogP3
1.4
Consensus LogP
1.7
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.19
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)
-3.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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