CAS RN: 21622-00-4
Diethyl 3-Cyclopentene-1,1-dicarboxylate
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.20250529 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-103617
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: 5g, 0.1g, 0.25g, 25g, 10g, 1g
- Available purity: >95%
- Inventory rows with stock: 6
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 0.1g | >95% | 3 In Stock | Beijing | Inquiry |
| 0.25g | >95% | 3 In Stock | Beijing | Inquiry |
| 25g | >95% | 3 In Stock | Shanghai | Inquiry |
| 10g | >95% | 2 In Stock | Hong Kong | Inquiry |
| 1g | >95% | 1 In Stock | Shanghai | Inquiry |
21622-00-4 / diethyl cyclopent-3-ene-1,1-dicarboxylate
Basic Information
CAS
21622-00-4
Multi CAS
No
Molecular Formula
C11H16O4
Molecular Weight
212.240000
Exact Mass
212.104859
SMILES
CCOC(=O)C1(CC=CC1)C(=O)OCC
InChI
InChI=1S/C11H16O4/c1-3-14-9(12)11(7-5-6-8-11)10(13)15-4-2/h5-6H,3-4,7-8H2,1-2H3
InChIKey
AYKIAWRITOYVSR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.64
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
54.07
TPSA
52.6
LogP / Solubility
WLOGP
1.45
MLOGP
1.28
XLogP3
1.9
Consensus LogP
1.54
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
Class (SILICOS-IT)
Moderately 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)
-2.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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