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CAS 1251010-99-7 tert-butyl 1,8-dioxa-4,11-diazaspiro[5.6]dodecane-11-carboxylate(SALTDATA: FREE) molecular structure lightbox
CAS RN: 1251010-99-7

tert-butyl 1,8-dioxa-4,11-diazaspiro[5.6]dodecane-11-carboxylate(SALTDATA: FREE)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250922 1g Out of stock 15 business days Inquiry
  • Product code: SSC-029718
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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 1251010-99-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1251010-99-7 / tert-butyl 1,11-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxylate

Standard CAS: 1251010-99-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1251010-99-7
Multi CAS
No
Molecular Formula
C13H24N2O4
Molecular Weight
272.340000
Exact Mass
272.173607
SMILES
CC(C)(C)OC(=O)N1CCOCC2(C1)CNCCO2
InChI
InChI=1S/C13H24N2O4/c1-12(2,3)19-11(16)15-5-7-17-10-13(9-15)8-14-4-6-18-13/h14H,4-10H2,1-3H3
InChIKey
MHCIEKBNVVEZOO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
70.18
TPSA
60.03

LogP / Solubility

WLOGP
0.61
MLOGP
0.55
XLogP3
-0.2
Consensus LogP
0.32
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.94
Class (SILICOS-IT)
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)
-3.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317

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