CAS RN: 267402-71-1
Myoseverin
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260405 | 1mg / 5mg / 10mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: ICTM2373
- Purity/Analytical Methods: >98.0%(HPLC)
267402-71-1 / 2-N,6-N-bis[(4-methoxyphenyl)methyl]-9-propan-2-ylpurine-2,6-diamine
Basic Information
CAS
267402-71-1
Multi CAS
No
Molecular Formula
C24H28N6O2
Molecular Weight
432.500000
Exact Mass
432.227374
SMILES
CC(C)N1C=NC2=C(N=C(N=C21)NCC3=CC=C(C=C3)OC)NCC4=CC=C(C=C4)OC
InChI
InChI=1S/C24H28N6O2/c1-16(2)30-15-27-21-22(25-13-17-5-9-19(31-3)10-6-17)28-24(29-23(21)30)26-14-18-7-11-20(32-4)12-8-18/h5-12,15-16H,13-14H2,1-4H3,(H2,25,26,28,29)
InChIKey
IDCOTQWQVPRTNK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
21
Fraction Csp3
0.29
Rotatable bonds
9
H-bond acceptors
8
H-bond donors
2
Molar refractivity
126.35
TPSA
86.12
LogP / Solubility
WLOGP
4.65
MLOGP
4.12
XLogP3
4.3
Consensus LogP
4.36
Log S (ESOL)
-5.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.41
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
