![CAS 1146618-41-8 N-(3-Chlorophenyl)-N’-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-2-thiazolyl]urea methanesulfonate (1:1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1146618-41-8.gif)
CAS RN: 1146618-41-8
N-(3-Chlorophenyl)-N’-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-2-thiazolyl]urea methanesulfonate (1:1)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250213 | 1mg / 5mg / 10mg / 25mg / 100mg | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS1146618-41-8
- Purity/Analytical Methods: >99.0%
1146618-41-8 / 1-(3-chlorophenyl)-3-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea;methanesulfonic acid
SNS-314 Mesylate | UNII-KGW32FDY3U | KGW32FDY3U
Basic Information
CAS
1146618-41-8
Multi CAS
Yes
Molecular Formula
C19H19ClN6O4S3
Molecular Weight
527.000000
Exact Mass
526.031844
SMILES
CS(=O)(=O)O.C1=CC(=CC(=C1)Cl)NC(=O)NC2=NC=C(S2)CCNC3=NC=NC4=C3SC=C4
InChI
InChI=1S/C18H15ClN6OS2.CH4O3S/c19-11-2-1-3-12(8-11)24-17(26)25-18-21-9-13(28-18)4-6-20-16-15-14(5-7-27-15)22-10-23-16;1-5(2,3)4/h1-3,5,7-10H,4,6H2,(H,20,22,23)(H2,21,24,25,26);1H3,(H,2,3,4)
InChIKey
FYCODPVDEFFWSR-UHFFFAOYSA-N
Synonyms
SNS-314 Mesylate
UNII-KGW32FDY3U
KGW32FDY3U
Urea, N-(3-chlorophenyl)-N'-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-2-thiazolyl]-, methanesulfonate (1:1)
Urea, N-(3-chlorophenyl)-N'-(5-(2-(thieno(3,2-d)pyrimidin-4-ylamino)ethyl)-2-thiazolyl)-, methanesulfonate (1:1)
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
20
Fraction Csp3
0.16
Rotatable bonds
6
H-bond acceptors
9
H-bond donors
4
Molar refractivity
133.29
TPSA
146.2
LogP / Solubility
WLOGP
4.6
MLOGP
4.09
XLogP3
4.6
Consensus LogP
4.43
Log S (ESOL)
-6.06
Class (ESOL)
Insoluble
Log S (Ali)
-7.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.63
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-2.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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