CAS RN: 1056636-07-7
CYT387,MsOH 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.20260324 | 5mg / 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1056636-07-7
- Purity/Analytical Methods: >99.0%
1056636-07-7 / N-(cyanomethyl)-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]benzamide;methanesulfonic acid
momelotinib Mesylate | CYT387 Mesylate | CYT387 (Mesylate)
Basic Information
CAS
1056636-07-7
Multi CAS
No
Molecular Formula
C24H26N6O5S
Molecular Weight
510.600000
Exact Mass
510.168539
SMILES
CS(=O)(=O)O.C1COCCN1C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC=C(C=C4)C(=O)NCC#N
InChI
InChI=1S/C23H22N6O2.CH4O3S/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;1-5(2,3)4/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28);1H3,(H,2,3,4)
InChIKey
LYIDPXWFFVJQLY-UHFFFAOYSA-N
Synonyms
momelotinib Mesylate
CYT387 Mesylate
CYT387 (Mesylate)
N-(cyanomethyl)-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]benzamide;methanesulfonic acid
CYT387,MsOH salt
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
18
Fraction Csp3
0.25
Rotatable bonds
6
H-bond acceptors
9
H-bond donors
3
Molar refractivity
135.64
TPSA
157.54
LogP / Solubility
WLOGP
2.48
MLOGP
2.22
XLogP3
2.48
Consensus LogP
2.39
Log S (ESOL)
-4.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.76
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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