[email protected]
CAS 1279866-58-8 tert-butyl 2,9-diazaspiro[5.5]undecane-9-carboxylate hydrochloride molecular structure lightbox
CAS RN: 1279866-58-8

tert-butyl 2,9-diazaspiro[5.5]undecane-9-carboxylate hydrochloride

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260218 10g Out of stock Inquiry
Batchno.20250115 1g In stock Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250911 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260628 25g / 50g Confirm by inquiry Shanghai Inquiry
Batchno.20251109 5g In stock Shenzhen, Wuhan, Chengdu Inquiry
  • Product code: SSC-035355
GET A QUOTE
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
Request Bulk Quote

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 1279866-58-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1279866-58-8 / tert-butyl 2,9-diazaspiro[5.5]undecane-9-carboxylate;hydrochloride

Standard CAS: 1279866-58-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1279866-58-8
Multi CAS
No
Molecular Formula
C14H27ClN2O2
Molecular Weight
290.830000
Exact Mass
290.176106
SMILES
CC(C)(C)OC(=O)N1CCC2(CCCNC2)CC1.Cl
InChI
InChI=1S/C14H26N2O2.ClH/c1-13(2,3)18-12(17)16-9-6-14(7-10-16)5-4-8-15-11-14;/h15H,4-11H2,1-3H3;1H
InChIKey
LPRFEBCQOPCLMH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.93
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
78.83
TPSA
41.57

LogP / Solubility

WLOGP
2.81
MLOGP
2.48
XLogP3
2.81
Consensus LogP
2.7
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
Class (SILICOS-IT)
Poorly 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)
-2.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
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

Customers Also Viewed

Get In Touch

Contact Us