CAS RN: 54110-25-7
pirozadil
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260326 | 5mg / 10mg / 25mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS54110-25-7
- Purity/Analytical Methods: >99.0%
54110-25-7 / [6-[(3,4,5-trimethoxybenzoyl)oxymethyl]-2-pyridinyl]methyl 3,4,5-trimethoxybenzoate
Basic Information
CAS
54110-25-7
Multi CAS
Yes
Molecular Formula
C27H29NO10
Molecular Weight
527.500000
Exact Mass
527.179146
InChI
InChI=1S/C27H29NO10/c1-31-20-10-16(11-21(32-2)24(20)35-5)26(29)37-14-18-8-7-9-19(28-18)15-38-27(30)17-12-22(33-3)25(36-6)23(13-17)34-4/h7-13H,14-15H2,1-6H3
InChIKey
DIIBXMIIOQXTHW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
18
Fraction Csp3
0.3
Rotatable bonds
12
H-bond acceptors
11
Molar refractivity
134.67
TPSA
120.87
LogP / Solubility
WLOGP
3.85
MLOGP
3.42
XLogP3
3.4
Consensus LogP
3.56
Log S (ESOL)
-5.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.72
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.21
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
4
