CAS RN: 223499-30-7
BTP2
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250409 | 10mg | In stock | Shanghai, Wuhan | Inquiry | |
| Batchno.20250204 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20260328 | 1mg / 5mg / 10mg / 25mg | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250321 | 25mg | In stock | Shanghai, Wuhan | Inquiry | |
| Batchno.20250510 | 2mg | In stock | Shanghai | Inquiry | |
| Batchno.20260313 | 5mg | In stock | Shanghai, Wuhan | Inquiry |
- Product code: starshine_CAS223499-30-7
- Purity/Analytical Methods: >99.0%
223499-30-7 / N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide
Basic Information
CAS
223499-30-7
Multi CAS
No
Molecular Formula
C15H9F6N5OS
Molecular Weight
421.300000
Exact Mass
421.043200
SMILES
CC1=C(SN=N1)C(=O)NC2=CC=C(C=C2)N3C(=CC(=N3)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C15H9F6N5OS/c1-7-12(28-25-23-7)13(27)22-8-2-4-9(5-3-8)26-11(15(19,20)21)6-10(24-26)14(16,17)18/h2-6H,1H3,(H,22,27)
InChIKey
XPRZIORDEVHURQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
16
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
86.17
TPSA
72.7
LogP / Solubility
WLOGP
4.32
MLOGP
3.83
XLogP3
3.8
Consensus LogP
3.98
Log S (ESOL)
-5.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.35
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)
-2.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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