CAS RN: 14277-18-0
Diethyl cyclopentane-1,3-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.20250624 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS14277-18-0
- Purity/Analytical Methods: >99.0%
14277-18-0 / diethyl cyclopentane-1,3-dicarboxylate
Basic Information
CAS
14277-18-0
Multi CAS
No
Molecular Formula
C11H18O4
Molecular Weight
214.260000
Exact Mass
214.120509
SMILES
CCOC(=O)C1CCC(C1)C(=O)OCC
InChI
InChI=1S/C11H18O4/c1-3-14-10(12)8-5-6-9(7-8)11(13)15-4-2/h8-9H,3-7H2,1-2H3
InChIKey
JQQVLBVQBKQHGD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.82
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
54.1
TPSA
52.6
LogP / Solubility
WLOGP
1.53
MLOGP
1.35
XLogP3
1.5
Consensus LogP
1.46
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
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)
-2.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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