CAS RN: 1056636-06-6
CYT387 2H2SO4 salt
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.20260103 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1056636-06-6
- Purity/Analytical Methods: >99.0%
1056636-06-6 / N-(cyanomethyl)-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]benzamide;sulfuric acid
momelotinib sulfate | CYT387 sulfate salt | CYT387 sulfate
Basic Information
CAS
1056636-06-6
Multi CAS
Yes
Molecular Formula
C23H26N6O10S2
Molecular Weight
610.600000
Exact Mass
610.115183
SMILES
C1COCCN1C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC=C(C=C4)C(=O)NCC#N.OS(=O)(=O)O.OS(=O)(=O)O
InChI
InChI=1S/C23H22N6O2.2H2O4S/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29;2*1-5(2,3)4/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28);2*(H2,1,2,3,4)
InChIKey
XJGPMRGWDSQVTN-UHFFFAOYSA-N
Synonyms
momelotinib sulfate
CYT387 sulfate salt
CYT387 sulfate
CYT387 2H2SO4 salt
CYT387 (sulfate salt)
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
18
Fraction Csp3
0.22
Rotatable bonds
6
H-bond acceptors
11
H-bond donors
6
Molar refractivity
146.53
TPSA
252.37
LogP / Solubility
WLOGP
1.67
MLOGP
1.52
XLogP3
1.67
Consensus LogP
1.62
Log S (ESOL)
-4.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.74
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.26
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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