CAS RN: 4462-96-8
Cyclobutane-1,2-dicarboxylic anhydride
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251201 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20250311 | 10g | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20251203 | 1g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20260115 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250207 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20250106 | 500g | In stock | Shanghai | Inquiry |
| Batchno.20260301 | 5g | In stock | Shanghai, Tianjin | Inquiry |
- Product code: starshine_CAS4462-96-8
- Purity/Analytical Methods: >99.0%
4462-96-8 / 3-oxabicyclo[3.2.0]heptane-2,4-dione
Basic Information
CAS
4462-96-8
Multi CAS
Yes
Molecular Formula
C6H6O3
Molecular Weight
126.110000
Exact Mass
126.031694
InChI
InChI=1S/C6H6O3/c7-5-3-1-2-4(3)6(8)9-5/h3-4H,1-2H2
InChIKey
NMNZZIMBGSGRPN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.67
H-bond acceptors
3
Molar refractivity
27.31
TPSA
43.37
LogP / Solubility
WLOGP
0.1
MLOGP
0.08
XLogP3
0.1
Consensus LogP
0.09
Log S (ESOL)
-0.68
Class (ESOL)
Very soluble
Log S (Ali)
-0.66
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.56
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)
-3.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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- CAS RN: 4464-60-2
- Product Code: starshine_CAS4464-60-2
- Purity/Analytical method: >99.0%
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