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CAS 1420955-72-1 tert-butyl 8-(hydroxymethyl)-2-azaspiro[4.5]decane-2-carboxylate molecular structure lightbox
CAS RN: 1420955-72-1

tert-butyl 8-(hydroxymethyl)-2-azaspiro[4.5]decane-2-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250707 1g Out of stock 15 business days Inquiry
  • Product code: SSC-052796
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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: 1g
  • 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 1420955-72-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1420955-72-1 / tert-butyl 8-(hydroxymethyl)-2-azaspiro[4.5]decane-2-carboxylate

Standard CAS: 1420955-72-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1420955-72-1
Multi CAS
No
Molecular Formula
C15H27NO3
Molecular Weight
269.380000
Exact Mass
269.199094
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)CCC(CC2)CO
InChI
InChI=1S/C15H27NO3/c1-14(2,3)19-13(18)16-9-8-15(11-16)6-4-12(10-17)5-7-15/h12,17H,4-11H2,1-3H3
InChIKey
NLWDPVNUVVOIJT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.93
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
73.9
TPSA
49.77

LogP / Solubility

WLOGP
2.8
MLOGP
2.47
XLogP3
2.1
Consensus LogP
2.46
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.79
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
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)
-2.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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