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CAS 1936016-59-9 1,7-Diazaspiro[3.5]nonane-1,7-dicarboxylic acid, 1-(1,1-dimethylethyl) 7-(phenylmethyl) ester molecular structure lightbox
CAS RN: 1936016-59-9

1,7-Diazaspiro[3.5]nonane-1,7-dicarboxylic acid, 1-(1,1-dimethylethyl) 7-(phenylmethyl) ester

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260513 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-091249
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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 1936016-59-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1936016-59-9 / 7-O-benzyl 1-O-tert-butyl 1,7-diazaspiro[3.5]nonane-1,7-dicarboxylate

Standard CAS: 1936016-59-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1936016-59-9
Multi CAS
No
Molecular Formula
C20H28N2O4
Molecular Weight
360.400000
Exact Mass
360.204907
SMILES
CC(C)(C)OC(=O)N1CCC12CCN(CC2)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C20H28N2O4/c1-19(2,3)26-18(24)22-14-11-20(22)9-12-21(13-10-20)17(23)25-15-16-7-5-4-6-8-16/h4-8H,9-15H2,1-3H3
InChIKey
FJWJGUPMZQPENQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
97.72
TPSA
59.08

LogP / Solubility

WLOGP
3.8
MLOGP
3.36
XLogP3
3
Consensus LogP
3.39
Log S (ESOL)
-4.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.4
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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