CAS RN: 90482-29-4
4-OXO-2-CARBOXYCYCLOHEPTANE
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.20250314 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS90482-29-4
- Purity/Analytical Methods: >99.0%
90482-29-4 / 3-oxocycloheptane-1-carboxylic acid
Basic Information
CAS
90482-29-4
Multi CAS
Yes
Molecular Formula
C8H12O3
Molecular Weight
156.180000
Exact Mass
156.078644
InChI
InChI=1S/C8H12O3/c9-7-3-1-2-6(4-5-7)8(10)11/h6H,1-5H2,(H,10,11)
InChIKey
TUHVNUTVSDQMJV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.22
TPSA
54.37
LogP / Solubility
WLOGP
1.22
MLOGP
1.07
XLogP3
0.5
Consensus LogP
0.93
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
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)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
![CAS 90482-42-1 2-Oxabicyclo[3.1.0]hexane-6-carboxylic acid, ethyl ester molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
2-Oxabicyclo[3.1.0]hexane-6-carboxylic acid, ethyl ester
- CAS RN: 90482-42-1
- Product Code: starshine_CAS90482-42-1
- Purity/Analytical method: >99.0%
-
-
-
-
-
![CAS 90482-42-1 2-Oxabicyclo[3.1.0]hexane-6-carboxylic acid, ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/90482-42-1.gif)
