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CAS 1854943-73-9 3-(3-methoxy-4-nitrophenyl)-9-methyl-3,9-diazaspiro[5.5]undecane molecular structure lightbox
CAS RN: 1854943-73-9

3-(3-methoxy-4-nitrophenyl)-9-methyl-3,9-diazaspiro[5.5]undecane

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251117 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-085854
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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 1854943-73-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1854943-73-9 / 3-(3-methoxy-4-nitrophenyl)-9-methyl-3,9-diazaspiro[5.5]undecane

Standard CAS: 1854943-73-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1854943-73-9
Multi CAS
No
Molecular Formula
C17H25N3O3
Molecular Weight
319.400000
Exact Mass
319.189592
SMILES
CN1CCC2(CC1)CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])OC
InChI
InChI=1S/C17H25N3O3/c1-18-9-5-17(6-10-18)7-11-19(12-8-17)14-3-4-15(20(21)22)16(13-14)23-2/h3-4,13H,5-12H2,1-2H3
InChIKey
FEPWQTGPHXVXRC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
90.26
TPSA
58.85

LogP / Solubility

WLOGP
2.92
MLOGP
2.58
XLogP3
3
Consensus LogP
2.83
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.52
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5

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