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CAS 1041026-71-4 2,6-Diazaspiro[3.3]heptane-2-carboxylic acid tert-butyl ester hemioxylate molecular structure lightbox
CAS RN: 1041026-71-4

2,6-Diazaspiro[3.3]heptane-2-carboxylic acid tert-butyl ester hemioxylate

Product Availability

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7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250607 100g In stock Shanghai Inquiry
Batchno.20250208 10g In stock Shanghai, Shenzhen Inquiry
Batchno.20260319 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260522 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250117 250mg / 1g / 5g / 10g Confirm by inquiry Shanghai Inquiry
Batchno.20250429 25g In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20251224 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-005878
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 5g, 10g, 25g, 100g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1041026-71-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 5 In Stock Hong Kong Inquiry
1g >95% 5 In Stock Beijing Inquiry
5g >95% 5 In Stock Hong Kong Inquiry
10g >95% 5 In Stock Beijing Inquiry
25g >95% 5 In Stock Shenzhen Inquiry
100g >95% 3 In Stock Shanghai Inquiry

1041026-71-4 / bis(tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate);oxalic acid

tert-Butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate hemioxalate | tert-Butyl 2,6-Diazaspiro(3.3)heptane-2-carboxylate Hemioxalate | RefChem:892194

Standard CAS: 1041026-71-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1041026-71-4
Multi CAS
Yes
Molecular Formula
C22H38N4O8
Molecular Weight
486.600000
Exact Mass
486.268964
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CNC2.CC(C)(C)OC(=O)N1CC2(C1)CNC2.C(=O)(C(=O)O)O
InChI
InChI=1S/2C10H18N2O2.C2H2O4/c2*1-9(2,3)14-8(13)12-6-10(7-12)4-11-5-10;3-1(4)2(5)6/h2*11H,4-7H2,1-3H3;(H,3,4)(H,5,6)
InChIKey
PYRAMVPOMDHTNX-UHFFFAOYSA-N
Synonyms
tert-Butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate hemioxalate tert-Butyl 2,6-Diazaspiro(3.3)heptane-2-carboxylate Hemioxalate RefChem:892194 988-252-6 tert-Butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate oxalate(2:1)

Computed Properties

Structural Parameters

Heavy atom count
34
Fraction Csp3
0.82
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
4
Molar refractivity
121.49
TPSA
157.74

LogP / Solubility

WLOGP
0.81
MLOGP
0.75
XLogP3
0.81
Consensus LogP
0.79
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.49
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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