CAS RN: 1690172-25-8
“I-191(I191)”
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260108 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20250515 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250609 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20251215 | 2mg | In stock | Shanghai | Inquiry |
| Batchno.20250630 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1690172-25-8
- Purity/Analytical Methods: >99.0%
1690172-25-8 / 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one
Basic Information
CAS
1690172-25-8
Multi CAS
No
Molecular Formula
C23H26FN5O2
Molecular Weight
423.500000
Exact Mass
423.207053
SMILES
CC1(C(=O)NCCN1C(=O)C2=CN3C(=N2)C(=CC(=N3)C4=CC=C(C=C4)F)C(C)(C)C)C
InChI
InChI=1S/C23H26FN5O2/c1-22(2,3)16-12-17(14-6-8-15(24)9-7-14)27-29-13-18(26-19(16)29)20(30)28-11-10-25-21(31)23(28,4)5/h6-9,12-13H,10-11H2,1-5H3,(H,25,31)
InChIKey
DTASTQAQBOZSRR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
15
Fraction Csp3
0.39
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
115.21
TPSA
79.6
LogP / Solubility
WLOGP
3.18
MLOGP
2.83
XLogP3
3.3
Consensus LogP
3.1
Log S (ESOL)
-4.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.3
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
![CAS 1690176-75-0 Methyl 8-(tert-butyl)-6-chloroimidazo[1,2-b]pyridazine-2-carboxylate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Methyl 8-(tert-butyl)-6-chloroimidazo[1,2-b]pyridazine-2-carboxylate
- CAS RN: 1690176-75-0
- Product Code: SSC-073661
-
-
Isoquinoline, 5-bromo-1-chloro-8-methoxy-
- CAS RN: 1690846-94-6
- Product Code: starshine_CAS1690846-94-6
- Purity/Analytical method: >99.0%
-
Zanubrutinib
- CAS RN: 1691249-45-2
- Product Code: starshine_CAS1691249-45-2
- Purity/Analytical method: >99.0%
-
(2R,4R)-4-Amino-2-methyl-piperidine-1-carboxylic acid tert-butyl ester
- CAS RN: 1691250-97-1
- Product Code: SSC-073778
-
![CAS 1690176-75-0 Methyl 8-(tert-butyl)-6-chloroimidazo[1,2-b]pyridazine-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1690176-75-0.gif)
