![CAS 1235397-05-3 3-Cyano-4-[2-(1-methyl-1H-pyrazol-5-yl)phenoxy]-N-2-thiazolyl-benzenesulfonamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1235397-05-3.gif)
CAS RN: 1235397-05-3
3-Cyano-4-[2-(1-methyl-1H-pyrazol-5-yl)phenoxy]-N-2-thiazolyl-benzenesulfonamide
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251217 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260216 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260515 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250827 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20251217 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250731 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1235397-05-3
- Purity/Analytical Methods: >99.0%
1235397-05-3 / 3-cyano-4-[2-(2-methylpyrazol-3-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
Basic Information
CAS
1235397-05-3
Multi CAS
No
Molecular Formula
C20H15N5O3S2
Molecular Weight
437.500000
Exact Mass
437.061632
SMILES
CN1C(=CC=N1)C2=CC=CC=C2OC3=C(C=C(C=C3)S(=O)(=O)NC4=NC=CS4)C#N
InChI
InChI=1S/C20H15N5O3S2/c1-25-17(8-9-23-25)16-4-2-3-5-19(16)28-18-7-6-15(12-14(18)13-21)30(26,27)24-20-22-10-11-29-20/h2-12H,1H3,(H,22,24)
InChIKey
MKSKJVIBSRUWSZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
22
Fraction Csp3
0.05
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
1
Molar refractivity
112.8
TPSA
109.9
LogP / Solubility
WLOGP
4.01
MLOGP
3.56
XLogP3
3
Consensus LogP
3.52
Log S (ESOL)
-5.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.55
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Safety & Transport
Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501
Customers Also Viewed
-
“4-(2-(3-amino-1H-pyrazol-4-yl)-4-chlorophenoxy)-5-chloro-2-fluoro-N-(thiazol-4-yl)benzenesulfonamideMolecular Weight: 500.35”
- CAS RN: 1235403-62-9
- Product Code: starshine_CAS1235403-62-9
- Purity/Analytical method: >99.0%
-
3-cyano-N-(2,4-dimethoxybenzyl)-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
- CAS RN: 1235406-41-3
- Product Code: SSC-027262
-
-
4-bromo-5-nitro-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole
- CAS RN: 1235407-34-7
- Product Code: SSC-027264
-
2,4-Difluoro-5-methylbenzenesulfonyl chloride
- CAS RN: 1235407-51-8
- Product Code: SSC-027265
-
(R)-1-Benzyl-N,N-dimethylpyrrolidin-3-amine
- CAS RN: 1235437-44-1
- Product Code: SSC-027266
