CAS RN: 4167-77-5
Diethyl cyclopentane-1,1-dicarboxylate
Product Availability
Choose a grade to view its available package options.
11 package records11 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250610 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20260201 | 10g | In stock | Shanghai, Tianjin, Wuhan | Inquiry |
| Batchno.20250913 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250817 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20251126 | 25g | In stock | Shanghai, Tianjin, Wuhan | Inquiry |
| Batchno.20250504 | 5g | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
- Product code: SSC-150057
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
4167-77-5 / diethyl cyclopentane-1,1-dicarboxylate
Basic Information
CAS
4167-77-5
Multi CAS
Yes
Molecular Formula
C11H18O4
Molecular Weight
214.260000
Exact Mass
214.120509
InChI
InChI=1S/C11H18O4/c1-3-14-9(12)11(7-5-6-8-11)10(13)15-4-2/h3-8H2,1-2H3
InChIKey
NAKRHRXBVSLQAO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.82
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
54.17
TPSA
52.6
LogP / Solubility
WLOGP
1.67
MLOGP
1.47
XLogP3
2.3
Consensus LogP
1.81
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
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)
-2.84
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
