CAS RN: 933747-23-0
oxepane-4-carboxylic acid
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250419 | 100mg | In stock | Shanghai, Wuhan, Chengdu | Inquiry | |
| Batchno.20250504 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250202 | 1g | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20250916 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry | |
| Batchno.20250128 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS933747-23-0
- Purity/Analytical Methods: >99.0%
933747-23-0 / oxepane-4-carboxylic acid
Basic Information
CAS
933747-23-0
Multi CAS
No
Molecular Formula
C7H12O3
Molecular Weight
144.170000
Exact Mass
144.078644
InChI
InChI=1S/C7H12O3/c8-7(9)6-2-1-4-10-5-3-6/h6H,1-5H2,(H,8,9)
InChIKey
LUTVJDHKNWWRKO-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
35.8
TPSA
46.53
LogP / Solubility
WLOGP
0.89
MLOGP
0.77
XLogP3
0.5
Consensus LogP
0.72
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.45
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)
-2.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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