CAS RN: 58009-66-8
Phosphonic acid, (2-cyclohexyl-2-oxoethyl)-, dimethyl 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.20260221 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS58009-66-8
- Purity/Analytical Methods: >99.0%
58009-66-8 / 1-cyclohexyl-2-dimethoxyphosphorylethanone
Basic Information
CAS
58009-66-8
Multi CAS
No
Molecular Formula
C10H19O4P
Molecular Weight
234.230000
Exact Mass
234.102096
InChI
InChI=1S/C10H19O4P/c1-13-15(12,14-2)8-10(11)9-6-4-3-5-7-9/h9H,3-8H2,1-2H3
InChIKey
FTZNMXSYERMMBC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
58.07
TPSA
52.6
LogP / Solubility
WLOGP
2.62
MLOGP
2.31
XLogP3
2.9
Consensus LogP
2.61
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.96
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)
-2.29
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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