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CAS 2169582-80-1 1-methyl-2-oxabicyclo[2.1.1]hexane-4-carboxylic acid molecular structure lightbox
CAS RN: 2169582-80-1

1-methyl-2-oxabicyclo[2.1.1]hexane-4-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250217 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-104387
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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: 0.1g, 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

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2169582-80-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 1 In Stock Shenzhen Inquiry
5g >95% 1 In Stock Shanghai Inquiry

2169582-80-1 / 1-methyl-2-oxabicyclo[2.1.1]hexane-4-carboxylic acid

Standard CAS: 2169582-80-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2169582-80-1
Multi CAS
No
Molecular Formula
C7H10O3
Molecular Weight
142.150000
Exact Mass
142.062994
SMILES
CC12CC(C1)(CO2)C(=O)O
InChI
InChI=1S/C7H10O3/c1-6-2-7(3-6,4-10-6)5(8)9/h2-4H2,1H3,(H,8,9)
InChIKey
GQRHKAYBOYJXEJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
33.66
TPSA
46.53

LogP / Solubility

WLOGP
0.64
MLOGP
0.56
XLogP3
-0.1
Consensus LogP
0.37
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-1.19
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.24
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)
-3.13

Drug-likeness / Medicinal Chemistry

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

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