CAS RN: 72903-27-6
1,4-cyclohexanedicarboxylicacid,diethylester
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251104 | 100g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250424 | 1g | In stock | Shanghai, Chengdu | Inquiry |
| Batchno.20260111 | 25g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250407 | 5g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
- Product code: starshine_CAS72903-27-6
- Purity/Analytical Methods: >99.0%
72903-27-6 / diethyl cyclohexane-1,4-dicarboxylate
Basic Information
CAS
72903-27-6
Multi CAS
Yes
Molecular Formula
C12H20O4
Molecular Weight
228.280000
Exact Mass
228.136159
InChI
InChI=1S/C12H20O4/c1-3-15-11(13)9-5-7-10(8-6-9)12(14)16-4-2/h9-10H,3-8H2,1-2H3
InChIKey
KRJHRNUTLDTSKY-UHFFFAOYSA-N
Physical Properties
Physical Description
Liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.83
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
58.71
TPSA
52.6
LogP / Solubility
WLOGP
1.92
MLOGP
1.69
XLogP3
1.9
Consensus LogP
1.84
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.22
Class (SILICOS-IT)
Poorly 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)
-2.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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