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CAS 1245917-55-8 9-Boc-3,5-dioxo-2,9-diaza… molecular structure lightbox
CAS RN: 1245917-55-8

9-Boc-3,5-dioxo-2,9-diaza…

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260522 1g / 5g Out of stock 15 business days Inquiry
  • Product code: SSC-028584
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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: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • 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 1245917-55-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Hong Kong Inquiry
0.25g >97% 1 In Stock Shanghai Inquiry
1g >97% 1 In Stock Shanghai Inquiry
5g >97% 1 In Stock Shenzhen Inquiry
10g >97% 0 Out of Stock Shenzhen Inquiry

1245917-55-8 / tert-butyl 3,5-dioxo-2,9-diazaspiro[5.5]undecane-9-carboxylate

Standard CAS: 1245917-55-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1245917-55-8
Multi CAS
No
Molecular Formula
C14H22N2O4
Molecular Weight
282.340000
Exact Mass
282.157957
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CNC(=O)CC2=O
InChI
InChI=1S/C14H22N2O4/c1-13(2,3)20-12(19)16-6-4-14(5-7-16)9-15-11(18)8-10(14)17/h4-9H2,1-3H3,(H,15,18)
InChIKey
KTUOBYLQQOEIAE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.79
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
72.11
TPSA
75.71

LogP / Solubility

WLOGP
1.09
MLOGP
0.97
XLogP3
0.4
Consensus LogP
0.82
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.67

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
2.5

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