[email protected]
CAS 1101840-72-5 6-azaspiro[2.5]octane-6-carboxylic acid, 4-hydroxy-, 1,1-dimethylethyl ester molecular structure lightbox
CAS RN: 1101840-72-5

6-azaspiro[2.5]octane-6-carboxylic acid, 4-hydroxy-, 1,1-dimethylethyl ester

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250903 1g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250620 100mg In stock Shanghai Inquiry
Batchno.20250521 1g In stock Shanghai Inquiry
Batchno.20260519 250mg In stock Shanghai Inquiry
  • Product code: SSC-011381
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
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 1101840-72-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Shanghai Inquiry
5g >95% 1 In Stock Shenzhen Inquiry

1101840-72-5 / tert-butyl 8-hydroxy-6-azaspiro[2.5]octane-6-carboxylate

TERT-BUTYL 4-HYDROXY-6-AZASPIRO[2.5]OCTANE-6-CARBOXYLATE | DTXSID10735770 | tert-Butyl 4-hydroxy-6-azaspiro(2.5)octane-6-carboxylate

Standard CAS: 1101840-72-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1101840-72-5
Multi CAS
Yes
Molecular Formula
C12H21NO3
Molecular Weight
227.300000
Exact Mass
227.152144
SMILES
CC(C)(C)OC(=O)N1CCC2(CC2)C(C1)O
InChI
InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-7-6-12(4-5-12)9(14)8-13/h9,14H,4-8H2,1-3H3
InChIKey
MQOLTEHTFKRZNV-UHFFFAOYSA-N
Synonyms
TERT-BUTYL 4-HYDROXY-6-AZASPIRO[2.5]OCTANE-6-CARBOXYLATE DTXSID10735770 tert-Butyl 4-hydroxy-6-azaspiro(2.5)octane-6-carboxylate RefChem:383623 DTXCID90686514

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.1
TPSA
49.77

LogP / Solubility

WLOGP
1.77
MLOGP
1.56
XLogP3
1.2
Consensus LogP
1.51
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
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)
-2.85

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
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