CAS RN: 54379-17-8
1,1-Cyclohexanedicarboxylic acid 1-ethyl ester
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 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS54379-17-8
- Purity/Analytical Methods: >99.0%
54379-17-8 / 1-ethoxycarbonylcyclohexane-1-carboxylic acid
Basic Information
CAS
54379-17-8
Multi CAS
Yes
Molecular Formula
C10H16O4
Molecular Weight
200.230000
Exact Mass
200.104859
InChI
InChI=1S/C10H16O4/c1-2-14-9(13)10(8(11)12)6-4-3-5-7-10/h2-7H2,1H3,(H,11,12)
InChIKey
KXODEDIOXQDDRS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.79
TPSA
63.6
LogP / Solubility
WLOGP
1.58
MLOGP
1.39
XLogP3
2.1
Consensus LogP
1.69
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
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)
-2.82
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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