CAS RN: 2250404-95-4
TAI-95 tosylate
Product Availability
Choose a grade to view its available package options.
9 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251230 | 100mg | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20260514 | 10mg | In stock | Wuhan | Inquiry | |
| Batchno.20250906 | 1g | Out of stock | Inquiry | ||
| Batchno.20250627 | 1mg | In stock | Wuhan | Inquiry | |
| Batchno.20260417 | 250mg | Out of stock | Inquiry | ||
| Batchno.20260415 | 25mg | Out of stock | Inquiry | ||
| Batchno.20250421 | 25mg / 50mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20260330 | 50mg | In stock | Shenzhen | Inquiry | |
| Batchno.20260501 | 5mg | In stock | Tianjin, Wuhan | Inquiry |
- Product code: starshine_CAS2250404-95-4
- Purity/Analytical Methods: >99.0%
2250404-95-4 / N-[4-[4-[5-(2-methoxyethoxy)pyrazin-2-yl]sulfanyl-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;4-methylbenzenesulfonic acid
Basic Information
CAS
2250404-95-4
Multi CAS
No
Molecular Formula
C31H31N5O6S3
Molecular Weight
665.800000
Exact Mass
665.143647
SMILES
CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC(=CC(=C1C2=CSC(=N2)NC(=O)C3=CC=NC=C3)C)SC4=NC=C(N=C4)OCCOC
InChI
InChI=1S/C24H23N5O3S2.C7H8O3S/c1-15-10-18(34-21-13-26-20(12-27-21)32-9-8-31-3)11-16(2)22(15)19-14-33-24(28-19)29-23(30)17-4-6-25-7-5-17;1-6-2-4-7(5-3-6)11(8,9)10/h4-7,10-14H,8-9H2,1-3H3,(H,28,29,30);2-5H,1H3,(H,8,9,10)
InChIKey
OUJWEAVKLYQREM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
45
Aromatic heavy atom count
29
Fraction Csp3
0.19
Rotatable bonds
10
H-bond acceptors
11
H-bond donors
2
Molar refractivity
173.73
TPSA
153.49
LogP / Solubility
WLOGP
6.28
MLOGP
5.58
XLogP3
6.28
Consensus LogP
6.05
Log S (ESOL)
-7.74
Class (ESOL)
Insoluble
Log S (Ali)
-9.56
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.4
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-2.32
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
Customers Also Viewed
-
“5-(Methyl-d3)-dibenzothiophenium, 1,1,1-trifluoromethanesulfonate”
- CAS RN: 2251781-83-4
- Product Code: starshine_CAS2251781-83-4
- Purity/Analytical method: >99.0%
-
-
(1R)-1-(THIOPHEN-2-YL)ETHAN-1-AMINE HCl
- CAS RN: 2252246-01-6
- Product Code: starshine_CAS2252246-01-6
- Purity/Analytical method: >99.0%
-
-
Vaccarin E
- CAS RN: 2252345-81-4
- Product Code: starshine_CAS2252345-81-4
- Purity/Analytical method: >99.0%
-
