CAS RN: 1005-93-2
ETBICYPHAT
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.20250407 | 25mg / 100mg / 250mg / 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1005-93-2
- Purity/Analytical Methods: >99.0%
1005-93-2 / 4-ethyl-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane 1-oxide
ETBICYPHAT | TRIMETHYLOLPROPANE PHOSPHATE | 2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane, 4-ethyl-, 1-oxide
Basic Information
CAS
1005-93-2
Multi CAS
Yes
Molecular Formula
C6H11O4P
Molecular Weight
178.120000
Exact Mass
178.039496
SMILES
CCC12COP(=O)(OC1)OC2
InChI
InChI=1S/C6H11O4P/c1-2-6-3-8-11(7,9-4-6)10-5-6/h2-5H2,1H3
InChIKey
BYEFHDZWRALTEN-UHFFFAOYSA-N
Synonyms
ETBICYPHAT
TRIMETHYLOLPROPANE PHOSPHATE
2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane, 4-ethyl-, 1-oxide
NSC-72890
5ZYS7J5LT3
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
38.19
TPSA
44.76
LogP / Solubility
WLOGP
1.57
MLOGP
1.38
XLogP3
0.1
Consensus LogP
1.02
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
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)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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