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CAS 90612-60-5 7-oxaspiro[3.5]nonane-2-carboxylic acid molecular structure lightbox
CAS RN: 90612-60-5

7-oxaspiro[3.5]nonane-2-carboxylic acid

  • Product code: SSC-203181
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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: 0.05g, 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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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 90612-60-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g >95% 1 In Stock Hong Kong Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 0 Out of Stock Hong Kong Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

90612-60-5 / 7-oxaspiro[3.5]nonane-2-carboxylic acid

Standard CAS: 90612-60-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
90612-60-5
Multi CAS
No
Molecular Formula
C9H14O3
Molecular Weight
170.210000
Exact Mass
170.094294
InChI
InChI=1S/C9H14O3/c10-8(11)7-5-9(6-7)1-3-12-4-2-9/h7H,1-6H2,(H,10,11)
InChIKey
HWAOSQJGTBRERO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.85
TPSA
46.53

LogP / Solubility

WLOGP
1.28
MLOGP
1.12
XLogP3
0.7
Consensus LogP
1.03
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.95
Class (SILICOS-IT)
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
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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