CAS RN: 1419320-73-2
Pitstop 2
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260322 | 25mg / 50mg / 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1419320-73-2
- Purity/Analytical Methods: >99.0%
1419320-73-2 / N-[(5Z)-5-[(4-bromophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]naphthalene-1-sulfonamide
Basic Information
CAS
1419320-73-2
Multi CAS
No
Molecular Formula
C20H13BrN2O3S2
Molecular Weight
473.400000
Exact Mass
471.955100
SMILES
C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)N=C3NC(=O)/C(=C/C4=CC=C(C=C4)Br)/S3
InChI
InChI=1S/C20H13BrN2O3S2/c21-15-10-8-13(9-11-15)12-17-19(24)22-20(27-17)23-28(25,26)18-7-3-5-14-4-1-2-6-16(14)18/h1-12H,(H,22,23,24)/b17-12-
InChIKey
CGDLWHGPJPVPDU-ATVHPVEESA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
16
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
116.42
TPSA
75.6
LogP / Solubility
WLOGP
4.55
MLOGP
4.04
XLogP3
5.5
Consensus LogP
4.7
Log S (ESOL)
-5.87
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.73
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.87
Class (SILICOS-IT)
Insoluble
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)
-2.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
2,3,4,5-Tetracaffeoyl-D-Glucaric acid
- CAS RN: 1419478-52-6
- Product Code: starshine_CAS1419478-52-6
- Purity/Analytical method: >99.0%
-
1-(5-Chloro-3-indolyl)-2,2,2-trifluoroethanone
- CAS RN: 1419517-55-7
- Product Code: SSC-052644
-
-
2-oxa-7-azaspiro[4.4]nonane hydrochloride
- CAS RN: 1419590-58-1
- Product Code: starshine_CAS1419590-58-1
- Purity/Analytical method: >99.0%
-
7-Oxa-1-azaspiro[4.4]nonane 2,2,2-trifluoroacetate
- CAS RN: 1419590-70-7
- Product Code: starshine_CAS1419590-70-7
- Purity/Analytical method: >99.0%
-
![CAS 1419590-58-1 2-oxa-7-azaspiro[4.4]nonane hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB43044023(1).gif)
![CAS 1419590-70-7 7-Oxa-1-azaspiro[4.4]nonane 2,2,2-trifluoroacetate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1419590-70-7.gif)
![CAS 1419590-81-0 1-oxa-7-azaspiro[4.4]nonane hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1419590-81-0.gif)