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CAS 1101840-73-6 6-Azaspiro[2.5]octane-6-carboxylic acid, 4-hydroxy-, 1,1-dimethylethyl ester, (4S)- molecular structure lightbox
CAS RN: 1101840-73-6

6-Azaspiro[2.5]octane-6-carboxylic acid, 4-hydroxy-, 1,1-dimethylethyl ester, (4S)-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260611 100mg / 500mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-011382
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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: 0.25g
  • Available purity: ≥95%
  • 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 1101840-73-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

1101840-73-6 / tert-butyl (8S)-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: 1101840-73-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1101840-73-6
Multi CAS
Yes
Molecular Formula
C12H21NO3
Molecular Weight
227.300000
Exact Mass
227.152144
SMILES
CC(C)(C)OC(=O)N1CCC2(CC2)[C@@H](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/t9-/m1/s1
InChIKey
MQOLTEHTFKRZNV-SECBINFHSA-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

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