CAS RN: 802555-85-7
p32 Inhibitor M36
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.20250320 | 5mg / 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS802555-85-7
- Purity/Analytical Methods: >99.0%
802555-85-7 / 1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[3-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]propyl]urea
Basic Information
CAS
802555-85-7
Multi CAS
No
Molecular Formula
C23H28N8O2
Molecular Weight
448.500000
Exact Mass
448.233522
InChI
InChI=1S/C23H28N8O2/c32-22(30-18-6-1-4-16(14-18)20-24-10-11-25-20)28-8-3-9-29-23(33)31-19-7-2-5-17(15-19)21-26-12-13-27-21/h1-2,4-7,14-15H,3,8-13H2,(H,24,25)(H,26,27)(H2,28,30,32)(H2,29,31,33)
InChIKey
HHFOXYBNULCICF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
6
Molar refractivity
130.36
TPSA
131.04
LogP / Solubility
WLOGP
1.72
MLOGP
1.54
XLogP3
-0.1
Consensus LogP
1.05
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.96
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.24
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
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