CAS RN: 2230849-55-3
EHMT2-IN-1
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.20251024 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2230849-55-3
- Purity/Analytical Methods: >99.0%
2230849-55-3 / 2-N-[4-methoxy-3-[4-(methylaminomethyl)pyrazol-1-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
Basic Information
CAS
2230849-55-3
Multi CAS
No
Molecular Formula
C18H23N7O
Molecular Weight
353.400000
Exact Mass
353.196408
SMILES
CC1=CC(=NC(=N1)NC2=CC(=C(C=C2)OC)N3C=C(C=N3)CNC)NC
InChI
InChI=1S/C18H23N7O/c1-12-7-17(20-3)24-18(22-12)23-14-5-6-16(26-4)15(8-14)25-11-13(9-19-2)10-21-25/h5-8,10-11,19H,9H2,1-4H3,(H2,20,22,23,24)
InChIKey
DJSJHTKOFPOYRZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
17
Fraction Csp3
0.28
Rotatable bonds
7
H-bond acceptors
8
H-bond donors
3
Molar refractivity
102.48
TPSA
88.92
LogP / Solubility
WLOGP
2.48
MLOGP
2.2
XLogP3
2.1
Consensus LogP
2.26
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.86
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-3.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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