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CAS 1630906-45-4 tert-butyl 1,6-diazaspiro[3.5]nonane-6-carboxylate hemioxalate molecular structure lightbox
CAS RN: 1630906-45-4

tert-butyl 1,6-diazaspiro[3.5]nonane-6-carboxylate hemioxalate

Product Availability

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260605 100mg Out of stock Inquiry
Batchno.20260423 250mg Out of stock Inquiry
Batchno.20250423 25mg / 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-070740
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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 1630906-45-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

1630906-45-4 / bis(tert-butyl 1,8-diazaspiro[3.5]nonane-8-carboxylate);oxalic acid

Standard CAS: 1630906-45-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1630906-45-4
Multi CAS
No
Molecular Formula
C26H46N4O8
Molecular Weight
542.700000
Exact Mass
542.331564
SMILES
CC(C)(C)OC(=O)N1CCCC2(C1)CCN2.CC(C)(C)OC(=O)N1CCCC2(C1)CCN2.C(=O)(C(=O)O)O
InChI
InChI=1S/2C12H22N2O2.C2H2O4/c2*1-11(2,3)16-10(15)14-8-4-5-12(9-14)6-7-13-12;3-1(4)2(5)6/h2*13H,4-9H2,1-3H3;(H,3,4)(H,5,6)
InChIKey
WTODIOPHLRZZTM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Fraction Csp3
0.85
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
4
Molar refractivity
140.06
TPSA
157.74

LogP / Solubility

WLOGP
2.65
MLOGP
2.38
XLogP3
2.65
Consensus LogP
2.56
Log S (ESOL)
-4.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.39
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.15

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
7.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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