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CAS 1341038-97-8 tert-butyl 7-(hydroxymethyl)-2-azaspiro[4.4]nonane-2-carboxylate molecular structure lightbox
CAS RN: 1341038-97-8

tert-butyl 7-(hydroxymethyl)-2-azaspiro[4.4]nonane-2-carboxylate

  • Product code: SSC-041400
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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: 0.1g, 0.25g, 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 1341038-97-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Shanghai Inquiry
0.25g >95% 0 Out of Stock Hong Kong Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

1341038-97-8 / tert-butyl 8-(hydroxymethyl)-2-azaspiro[4.4]nonane-2-carboxylate

Standard CAS: 1341038-97-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1341038-97-8
Multi CAS
No
Molecular Formula
C14H25NO3
Molecular Weight
255.350000
Exact Mass
255.183444
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)CCC(C2)CO
InChI
InChI=1S/C14H25NO3/c1-13(2,3)18-12(17)15-7-6-14(10-15)5-4-11(8-14)9-16/h11,16H,4-10H2,1-3H3
InChIKey
KKFPWTHGRVBBER-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.93
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
69.28
TPSA
49.77

LogP / Solubility

WLOGP
2.41
MLOGP
2.12
XLogP3
1.8
Consensus LogP
2.11
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
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)
-2.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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