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CAS 183673-68-9 1-T-BOC-PIPERIDINE-4-SPIRO-5′-[1′,3′-BIS-T-BOC]-HYDANTOIN molecular structure lightbox
CAS RN: 183673-68-9

1-T-BOC-PIPERIDINE-4-SPIRO-5′-[1′,3′-BIS-T-BOC]-HYDANTOIN

  • Product code: SSC-084960
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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: 5g
  • 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 183673-68-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

183673-68-9 / tritert-butyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-1,3,8-tricarboxylate

Standard CAS: 183673-68-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
183673-68-9
Multi CAS
No
Molecular Formula
C22H35N3O8
Molecular Weight
469.500000
Exact Mass
469.242415
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)N(C(=O)N2C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChI
InChI=1S/C22H35N3O8/c1-19(2,3)31-16(28)23-12-10-22(11-13-23)14(26)24(17(29)32-20(4,5)6)15(27)25(22)18(30)33-21(7,8)9/h10-13H2,1-9H3
InChIKey
GVANXWWDBFXDBQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
0.77
Rotatable bonds
6
H-bond acceptors
8
Molar refractivity
116.32
TPSA
122.76

LogP / Solubility

WLOGP
3.89
MLOGP
3.46
XLogP3
2.9
Consensus LogP
3.42
Log S (ESOL)
-5.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-5.94
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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