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CAS 1023595-19-8 TERT-BUTYL 2,9-DIAZASPIRO[5.5]UNDECANE-9-CARBOXYLATE molecular structure lightbox
CAS RN: 1023595-19-8

TERT-BUTYL 2,9-DIAZASPIRO[5.5]UNDECANE-9-CARBOXYLATE

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250623 1g In stock Shanghai Inquiry
Batchno.20250204 250mg In stock Shanghai, Wuhan Inquiry
Batchno.20260510 250mg / 1g / 5g / 25g Out of stock 8-10 business days Inquiry
Batchno.20251203 25g In stock Shanghai, Wuhan Inquiry
Batchno.20250313 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-003634
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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: 5g
  • Available purity: ＞97%
  • 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 1023595-19-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

1023595-19-8 / tert-butyl 2,9-diazaspiro[5.5]undecane-9-carboxylate

TERT-BUTYL 2,9-DIAZASPIRO[5.5]UNDECANE-2-CARBOXYLATE | DTXSID00634061 | tert-butyl 2,9-diazaspiro(5.5)undecane-2-carboxylate

Standard CAS: 1023595-19-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1023595-19-8
Multi CAS
Yes
Molecular Formula
C14H26N2O2
Molecular Weight
254.370000
Exact Mass
254.199428
SMILES
CC(C)(C)OC(=O)N1CCC2(CCCNC2)CC1
InChI
InChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-9-6-14(7-10-16)5-4-8-15-11-14/h15H,4-11H2,1-3H3
InChIKey
QDWTYWWOUAIWGI-UHFFFAOYSA-N
Synonyms
TERT-BUTYL 2,9-DIAZASPIRO[5.5]UNDECANE-2-CARBOXYLATE DTXSID00634061 tert-butyl 2,9-diazaspiro(5.5)undecane-2-carboxylate RefChem:892216 DTXCID80584813

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.93
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.58
TPSA
41.57

LogP / Solubility

WLOGP
2.39
MLOGP
2.11
XLogP3
1.8
Consensus LogP
2.1
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.29
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)
-2.58

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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