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CAS 1160246-97-8 INDEX NAME NOT YET ASSIGNED molecular structure lightbox
CAS RN: 1160246-97-8

INDEX NAME NOT YET ASSIGNED

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260118 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: SSC-016070
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Verified Factory Data

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  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

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Recorded sizes, purity and stock details for CAS 1160246-97-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 1 In Stock Beijing Inquiry
5g >95% 1 In Stock Hong Kong Inquiry

1160246-97-8 / 8-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-8-azaspiro[4.5]decane-3-carboxylic acid

8-[(tert-Butoxy)carbonyl]-1-oxa-8-azaspiro[4.5]decane-3-carboxylic acid | 8-(1,1-Dimethylethyl) 1-oxa-8-azaspiro[4.5]decane-3,8-dicarboxylate | 8-((Tert-butoxy)carbonyl)-1-oxa-8-azaspiro(4.5)decane-3-carboxylic acid

Standard CAS: 1160246-97-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1160246-97-8
Multi CAS
No
Molecular Formula
C14H23NO5
Molecular Weight
285.340000
Exact Mass
285.157623
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC(CO2)C(=O)O
InChI
InChI=1S/C14H23NO5/c1-13(2,3)20-12(18)15-6-4-14(5-7-15)8-10(9-19-14)11(16)17/h10H,4-9H2,1-3H3,(H,16,17)
InChIKey
FKMZZFZIWHDQBQ-UHFFFAOYSA-N
Synonyms
8-[(tert-Butoxy)carbonyl]-1-oxa-8-azaspiro[4.5]decane-3-carboxylic acid 8-(1,1-Dimethylethyl) 1-oxa-8-azaspiro[4.5]decane-3,8-dicarboxylate 8-((Tert-butoxy)carbonyl)-1-oxa-8-azaspiro(4.5)decane-3-carboxylic acid 8-(1,1-Dimethylethyl) 1-oxa-8-azaspiro(4.5)decane-3,8-dicarboxylate RefChem:547298

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
71.47
TPSA
76.07

LogP / Solubility

WLOGP
1.88
MLOGP
1.66
XLogP3
1
Consensus LogP
1.51
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.19
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)
-3.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
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

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