![CAS 1964516-64-0 4-Thiazolecarboxylic acid, 2-[4-[[4-(aminosulfonyl)-3-fluorophenyl]methyl]-5-(cyclopropylmethyl)-3-[4-fluoro-3-[2-(5-methyl-2-thienyl)ethynyl]phenyl]-1H-pyrazol-1-yl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1964516-64-0.gif)
CAS RN: 1964516-64-0
4-Thiazolecarboxylic acid, 2-[4-[[4-(aminosulfonyl)-3-fluorophenyl]methyl]-5-(cyclopropylmethyl)-3-[4-fluoro-3-[2-(5-methyl-2-thienyl)ethynyl]phenyl]-1H-pyrazol-1-yl]-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260325 | 200mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1964516-64-0
- Purity/Analytical Methods: >99.0%
1964516-64-0 / 2-[5-(cyclopropylmethyl)-3-[4-fluoro-3-[2-(5-methylthiophen-2-yl)ethynyl]phenyl]-4-[(3-fluoro-4-sulfamoylphenyl)methyl]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
Basic Information
CAS
1964516-64-0
Multi CAS
No
Molecular Formula
C31H24F2N4O4S3
Molecular Weight
650.700000
Exact Mass
650.092775
SMILES
CC1=CC=C(S1)C#CC2=C(C=CC(=C2)C3=NN(C(=C3CC4=CC(=C(C=C4)S(=O)(=O)N)F)CC5CC5)C6=NC(=CS6)C(=O)O)F
InChI
InChI=1S/C31H24F2N4O4S3/c1-17-2-8-22(43-17)9-6-20-15-21(7-10-24(20)32)29-23(12-19-5-11-28(25(33)13-19)44(34,40)41)27(14-18-3-4-18)37(36-29)31-35-26(16-42-31)30(38)39/h2,5,7-8,10-11,13,15-16,18H,3-4,12,14H2,1H3,(H,38,39)(H2,34,40,41)
InChIKey
ADUJCIPBWYSFQX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
44
Aromatic heavy atom count
27
Fraction Csp3
0.19
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
2
Molar refractivity
163.63
TPSA
128.17
LogP / Solubility
WLOGP
5.93
MLOGP
5.27
XLogP3
7
Consensus LogP
6.07
Log S (ESOL)
-7.54
Class (ESOL)
Insoluble
Log S (Ali)
-9.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.77
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)
-2.48
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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