CAS RN: 1252679-52-9
ITX-5061 HCl
Product Availability
Choose a grade to view its available package options.
8 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260625 | 1mg / 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250104 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20251012 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250914 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20260514 | 250mg | Out of stock | Inquiry | ||
| Batchno.20250405 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20251019 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250918 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS1252679-52-9
- Purity/Analytical Methods: >99.0%
1252679-52-9 / N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide;hydrochloride
Basic Information
CAS
1252679-52-9
Multi CAS
No
Molecular Formula
C30H38ClN3O7S
Molecular Weight
620.200000
Exact Mass
619.211899
SMILES
CC(C)(C)C1=CC(=C(C(=C1)NS(=O)(=O)C)OC)NC(=O)C(=O)C2=CC=C(C3=CC=CC=C32)OCCN4CCOCC4.Cl
InChI
InChI=1S/C30H37N3O7S.ClH/c1-30(2,3)20-18-24(28(38-4)25(19-20)32-41(5,36)37)31-29(35)27(34)23-10-11-26(22-9-7-6-8-21(22)23)40-17-14-33-12-15-39-16-13-33;/h6-11,18-19,32H,12-17H2,1-5H3,(H,31,35);1H
InChIKey
ICIJBYYMEBOTQP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
16
Fraction Csp3
0.4
Rotatable bonds
10
H-bond acceptors
8
H-bond donors
2
Molar refractivity
167.07
TPSA
123.27
LogP / Solubility
WLOGP
4.47
MLOGP
3.99
XLogP3
4.47
Consensus LogP
4.31
Log S (ESOL)
-6.12
Class (ESOL)
Insoluble
Log S (Ali)
-7.87
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.6
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)
-3.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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