CAS 1198284-94-4 2-Boc-2,9-DIAZASPIRO[5.5]UNDECAN-1-ONE molecular structure

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CAS RN: 1198284-94-4

2-Boc-2,9-DIAZASPIRO[5.5]UNDECAN-1-ONE

Product Availability

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5 package records4 with current stock2 grade groups

Grade In stock only

Batch No.	Package	Availability	Warehouse	Lead Time	Inquiry
Batchno.20251211	1g / 5g / 10g / 25g	Out of stock		8-10 business days	Inquiry

Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20250328	100mg	In stock	Shanghai, Shenzhen, Tianjin, Chengdu	Inquiry
Batchno.20251008	1g	In stock	Shanghai, Shenzhen, Tianjin, Chengdu	Inquiry
Batchno.20260501	250mg	In stock	Shanghai, Wuhan, Chengdu	Inquiry
Batchno.20260202	5g	In stock	Shanghai, Wuhan, Chengdu	Inquiry

Product code: SSC-020600

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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: ＞97%
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 1198284-94-4
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	＞97%	0 Out of Stock	Shanghai	Inquiry

1198284-94-4 / tert-butyl 1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate

TERT-BUTYL 1-OXO-2,9-DIAZASPIRO[5.5]UNDECANE-9-CARBOXYLATE | DTXSID10678118 | tert-Butyl 1-oxo-2,9-diazaspiro(5.5)undecane-9-carboxylate

Standard CAS: 1198284-94-4 Multi CAS: No

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

1198284-94-4

Multi CAS

Molecular Formula

C14H24N2O3

Molecular Weight

268.350000

Exact Mass

268.178693

SMILES

CC(C)(C)OC(=O)N1CCC2(CCCNC2=O)CC1

InChI

InChI=1S/C14H24N2O3/c1-13(2,3)19-12(18)16-9-6-14(7-10-16)5-4-8-15-11(14)17/h4-10H2,1-3H3,(H,15,17)

InChIKey

SRXNZBIOGZNYEO-UHFFFAOYSA-N

Synonyms

TERT-BUTYL 1-OXO-2,9-DIAZASPIRO[5.5]UNDECANE-9-CARBOXYLATE DTXSID10678118 tert-Butyl 1-oxo-2,9-diazaspiro(5.5)undecane-9-carboxylate RefChem:383112 DTXCID80628867

Computed Properties

Structural Parameters

Heavy atom count

Fraction Csp3

0.86

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

71.72

TPSA

58.64

LogP / Solubility

WLOGP

1.91

MLOGP

1.69

XLogP3

1.2

Consensus LogP

1.6

Log S (ESOL)

-2.71

Class (ESOL)

Moderately soluble

Log S (Ali)

-3.14

Class (Ali)

Poorly soluble

Log S (SILICOS-IT)

-2.99

Class (SILICOS-IT)

Moderately soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

Yes

CYP3A4 inhibitor

Log Kp (skin permeation)

-3

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Leadlikeness

Yes

Synthetic Accessibility

2.5

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