CAS RN: 1428729-63-8
RIG-1
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260508 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1428729-63-8
- Purity/Analytical Methods: >99.0%
1428729-63-8 / 1-[2-(dimethylamino)ethyl]-3-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea
Basic Information
CAS
1428729-63-8
Multi CAS
No
Molecular Formula
C14H17N5OS2
Molecular Weight
335.500000
Exact Mass
335.087453
SMILES
CC1=NC2=C(S1)C=CC3=C2SC(=N3)NC(=O)NCCN(C)C
InChI
InChI=1S/C14H17N5OS2/c1-8-16-11-10(21-8)5-4-9-12(11)22-14(17-9)18-13(20)15-6-7-19(2)3/h4-5H,6-7H2,1-3H3,(H2,15,17,18,20)
InChIKey
HORUPPJGOWQYBQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
93.11
TPSA
70.15
LogP / Solubility
WLOGP
2.9
MLOGP
2.57
XLogP3
2.6
Consensus LogP
2.69
Log S (ESOL)
-3.88
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.73
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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![CAS 1428774-45-1 1-((3R,4R)-3-(((5-chloro-2-((1-methyl-1H-pyrazol-4-yl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)methyl)-4-methoxypyrrolidin-1-yl)prop-2-en-1-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1428774-45-1.gif)
