CAS RN: 188247-01-0
MethylproaMine
Product Availability
Choose a grade to view its available package options.
6 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250715 | 100mg | Out of stock | Inquiry | |
| Batchno.20250114 | 10mg | Out of stock | Inquiry | |
| Batchno.20260408 | 25mg | Out of stock | Inquiry | |
| Batchno.20250529 | 50mg | Out of stock | Inquiry | |
| Batchno.20250603 | 50mg / 250mg | Out of stock | 5-7 business days | Inquiry |
| Batchno.20251102 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS188247-01-0
- Purity/Analytical Methods: >99.0%
188247-01-0 / N,N,3-trimethyl-4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]aniline
Basic Information
CAS
188247-01-0
Multi CAS
No
Molecular Formula
C28H31N7
Molecular Weight
465.600000
Exact Mass
465.264094
SMILES
CC1=C(C=CC(=C1)N(C)C)C2=NC3=C(N2)C=C(C=C3)C4=NC5=C(N4)C=C(C=C5)N6CCN(CC6)C
InChI
InChI=1S/C28H31N7/c1-18-15-20(33(2)3)6-8-22(18)28-30-23-9-5-19(16-25(23)32-28)27-29-24-10-7-21(17-26(24)31-27)35-13-11-34(4)12-14-35/h5-10,15-17H,11-14H2,1-4H3,(H,29,31)(H,30,32)
InChIKey
ADKLMOJIJGHCCD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
24
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
145.39
TPSA
67.08
LogP / Solubility
WLOGP
4.9
MLOGP
4.34
XLogP3
4.8
Consensus LogP
4.68
Log S (ESOL)
-6.06
Class (ESOL)
Insoluble
Log S (Ali)
-6.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.23
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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