![CAS 1427158-38-0 (1S)-3-oxabicyclo[3.1.0]hexane-1-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1427158-38-0.gif)
CAS RN: 1427158-38-0
(1S)-3-oxabicyclo[3.1.0]hexane-1-carboxylic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250621 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-053540
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
- Available purity: >97%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1427158-38-0 / (1S,5S)-3-oxabicyclo[3.1.0]hexane-1-carboxylic acid
Basic Information
CAS
1427158-38-0
Multi CAS
No
Molecular Formula
C6H8O3
Molecular Weight
128.130000
Exact Mass
128.047344
SMILES
C1[C@H]2[C@@]1(COC2)C(=O)O
InChI
InChI=1S/C6H8O3/c7-5(8)6-1-4(6)2-9-3-6/h4H,1-3H2,(H,7,8)/t4-,6-/m1/s1
InChIKey
KXQPXWJVQITPAZ-INEUFUBQSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
28.99
TPSA
46.53
LogP / Solubility
WLOGP
0.11
MLOGP
0.09
XLogP3
-0.4
Consensus LogP
-0.07
Log S (ESOL)
-0.64
Class (ESOL)
Very soluble
Log S (Ali)
-0.69
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.7
Class (SILICOS-IT)
Very 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)
-3.43
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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