[email protected]
CAS 1158749-79-1 6-Boc-1,6-diazaspiro[3.4]… molecular structure lightbox
CAS RN: 1158749-79-1

6-Boc-1,6-diazaspiro[3.4]…

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251227 100mg In stock Shanghai Inquiry
Batchno.20251027 1g In stock Shanghai Inquiry
Batchno.20260405 250mg In stock Shanghai Inquiry
Batchno.20250407 5g In stock Shanghai Inquiry
  • Product code: SSC-015633
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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • 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 1158749-79-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 0 Out of Stock Beijing Inquiry
0.25g >97% 0 Out of Stock Shenzhen Inquiry
1g >97% 0 Out of Stock Beijing Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry

1158749-79-1 / tert-butyl 1,7-diazaspiro[3.4]octane-7-carboxylate

tert-Butyl 1,6-diazaspiro[3.4]octane-6-carboxylate | DTXSID20704073 | tert-butyl 1,6-diazaspiro(3.4)octane-6-carboxylate

Standard CAS: 1158749-79-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1158749-79-1
Multi CAS
Yes
Molecular Formula
C11H20N2O2
Molecular Weight
212.290000
Exact Mass
212.152478
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)CCN2
InChI
InChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-7-5-11(8-13)4-6-12-11/h12H,4-8H2,1-3H3
InChIKey
HXUGSDLGHNRSJZ-UHFFFAOYSA-N
Synonyms
tert-Butyl 1,6-diazaspiro[3.4]octane-6-carboxylate DTXSID20704073 tert-butyl 1,6-diazaspiro(3.4)octane-6-carboxylate RefChem:891995 DTXCID60654821

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.77
TPSA
41.57

LogP / Solubility

WLOGP
1.36
MLOGP
1.2
XLogP3
0.8
Consensus LogP
1.12
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us