CAS RN: 1092679-51-0
WAY-100635 Maleate
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.20260325 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTW0016
- Purity/Analytical Methods: >98.0%(HPLC)
1092679-51-0 / (Z)-but-2-enedioic acid;N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
WAY-100635 maleate salt | DTXSID60474703 | RefChem:388376
Basic Information
CAS
1092679-51-0
Multi CAS
Yes
Molecular Formula
C29H38N4O6
Molecular Weight
538.600000
Exact Mass
538.279135
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCN(C3=CC=CC=N3)C(=O)C4CCCCC4.C(=C\C(=O)O)\C(=O)O
InChI
InChI=1S/C25H34N4O2.C4H4O4/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21;5-3(6)1-2-4(7)8/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey
XIGAHNVCEFUYOV-BTJKTKAUSA-N
Synonyms
WAY-100635 maleate salt
DTXSID60474703
RefChem:388376
DTXCID00425517
WAY-100635 maleate
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
12
Fraction Csp3
0.45
Rotatable bonds
9
H-bond acceptors
7
H-bond donors
2
Molar refractivity
149.22
TPSA
123.51
LogP / Solubility
WLOGP
3.54
MLOGP
3.15
XLogP3
3.54
Consensus LogP
3.41
Log S (ESOL)
-5.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.18
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
