CAS RN: 67629-62-3
(E)-Methyl 4-(diethoxyphosphoryl)but-2-enoate
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.20250302 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS67629-62-3
- Purity/Analytical Methods: >99.0%
67629-62-3 / methyl 4-diethoxyphosphorylbut-2-enoate
Basic Information
CAS
67629-62-3
Multi CAS
Yes
Molecular Formula
C9H17O5P
Molecular Weight
236.200000
Exact Mass
236.081361
InChI
InChI=1S/C9H17O5P/c1-4-13-15(11,14-5-2)8-6-7-9(10)12-3/h6-7H,4-5,8H2,1-3H3
InChIKey
ISLZPJMIALHMEC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.67
Rotatable bonds
7
H-bond acceptors
5
Molar refractivity
56.88
TPSA
61.83
LogP / Solubility
WLOGP
1.98
MLOGP
1.75
XLogP3
0.4
Consensus LogP
1.38
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.68
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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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