[email protected]
CAS 1174006-82-6 tert-Butyl 1-cyano-6-azaspiro[2.5]octane-6-carboxylate molecular structure lightbox
CAS RN: 1174006-82-6

tert-Butyl 1-cyano-6-azaspiro[2.5]octane-6-carboxylate

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251211 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: SSC-017241
GET A QUOTE
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, 25g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1174006-82-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 1 In Stock Hong Kong Inquiry
5g >95% 1 In Stock Beijing Inquiry
10g >95% 1 In Stock Shanghai Inquiry
25g >95% 0 Out of Stock Hong Kong Inquiry

1174006-82-6 / tert-butyl 2-cyano-6-azaspiro[2.5]octane-6-carboxylate

tert-butyl 1-cyano-6-azaspiro[2.5]octane-6-carboxylate | Tert-butyl 1-cyano-6-azaspiro(2.5)octane-6-carboxylate | RefChem:892069

Standard CAS: 1174006-82-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1174006-82-6
Multi CAS
Yes
Molecular Formula
C13H20N2O2
Molecular Weight
236.310000
Exact Mass
236.152478
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC2C#N
InChI
InChI=1S/C13H20N2O2/c1-12(2,3)17-11(16)15-6-4-13(5-7-15)8-10(13)9-14/h10H,4-8H2,1-3H3
InChIKey
MYXLXKKWRQMPOP-UHFFFAOYSA-N
Synonyms
tert-butyl 1-cyano-6-azaspiro[2.5]octane-6-carboxylate Tert-butyl 1-cyano-6-azaspiro(2.5)octane-6-carboxylate RefChem:892069 937-511-1 MFCD12546363

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.85
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
63.19
TPSA
53.33

LogP / Solubility

WLOGP
2.55
MLOGP
2.25
XLogP3
1.6
Consensus LogP
2.13
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35

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)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501

Customers Also Viewed

Get In Touch

Contact Us