![CAS 1204975-42-7 2-[4-(6-Benzyl-4,5-dimethylpyridazin-3-yl)-2-methyl-3,4,5,6-tetrahydro-2H-[1,2]bipyrazinyl-5-yl]-propan-2-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1204975-42-7.gif)
CAS RN: 1204975-42-7
2-[4-(6-Benzyl-4,5-dimethylpyridazin-3-yl)-2-methyl-3,4,5,6-tetrahydro-2H-[1,2]bipyrazinyl-5-yl]-propan-2-ol
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.20260119 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1204975-42-7
- Purity/Analytical Methods: >99.0%
1204975-42-7 / 2-[5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol
LEQ506 | NVP-LEQ-506 | NVP-LEQ506
Basic Information
CAS
1204975-42-7
Multi CAS
Yes
Molecular Formula
C25H32N6O
Molecular Weight
432.600000
Exact Mass
432.263760
SMILES
C[C@@H]1CN(CCN1C2=NC=C(N=C2)C(C)(C)O)C3=NN=C(C(=C3C)C)CC4=CC=CC=C4
InChI
InChI=1S/C25H32N6O/c1-17-16-30(11-12-31(17)23-15-26-22(14-27-23)25(4,5)32)24-19(3)18(2)21(28-29-24)13-20-9-7-6-8-10-20/h6-10,14-15,17,32H,11-13,16H2,1-5H3/t17-/m1/s1
InChIKey
POERAARDVFVDLO-QGZVFWFLSA-N
Synonyms
LEQ506
NVP-LEQ-506
NVP-LEQ506
LEQ-506
LEQ 506
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.44
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
1
Molar refractivity
127.05
TPSA
78.27
LogP / Solubility
WLOGP
3.42
MLOGP
3.03
XLogP3
2.9
Consensus LogP
3.12
Log S (ESOL)
-4.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.91
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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