CAS RN: 108384-35-6
1-Cyclopentene-1-carboxylicacid,3-oxo-,methylester(9CI)
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.20250611 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-009754
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
108384-35-6 / methyl 3-oxocyclopentene-1-carboxylate
METHYL 3-OXOCYCLOPENT-1-ENECARBOXYLATE | DTXSID20452441 | RefChem:355159
Basic Information
CAS
108384-35-6
Multi CAS
No
Molecular Formula
C7H8O3
Molecular Weight
140.140000
Exact Mass
140.047344
SMILES
COC(=O)C1=CC(=O)CC1
InChI
InChI=1S/C7H8O3/c1-10-7(9)5-2-3-6(8)4-5/h4H,2-3H2,1H3
InChIKey
NLUBENDJJYCAGP-UHFFFAOYSA-N
Synonyms
METHYL 3-OXOCYCLOPENT-1-ENECARBOXYLATE
DTXSID20452441
RefChem:355159
DTXCID10403260
Methyl 3-oxocyclopentene-1-carboxylate
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
34.34
TPSA
43.37
LogP / Solubility
WLOGP
0.45
MLOGP
0.39
XLogP3
0.1
Consensus LogP
0.31
Log S (ESOL)
-0.93
Class (ESOL)
Very soluble
Log S (Ali)
-1.03
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.06
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)
-3.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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