![CAS 875337-44-3 N-(3-fluoro-4-(2-(1-methyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yloxy)phenylcarbamothioyl)-2-phenylacetamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/875337-44-3.gif)
CAS RN: 875337-44-3
N-(3-fluoro-4-(2-(1-methyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yloxy)phenylcarbamothioyl)-2-phenylacetamide
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock3 grade groups
- Product code: starshine_CAS875337-44-3
- Purity/Analytical Methods: >99.0%
875337-44-3 / N-[[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamothioyl]-2-phenylacetamide
Basic Information
CAS
875337-44-3
Multi CAS
No
Molecular Formula
C26FH20N5O2S2
Molecular Weight
517.600000
Exact Mass
517.104245
InChI
InChI=1S/C26H20FN5O2S2/c1-32-14-20(29-15-32)23-13-19-25(36-23)22(9-10-28-19)34-21-8-7-17(12-18(21)27)30-26(35)31-24(33)11-16-5-3-2-4-6-16/h2-10,12-15H,11H2,1H3,(H2,30,31,33,35)
InChIKey
UFICVEHDQUKCEA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
26
Fraction Csp3
0.08
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
2
Molar refractivity
142.81
TPSA
81.07
LogP / Solubility
WLOGP
5.68
MLOGP
5.04
XLogP3
4.9
Consensus LogP
5.21
Log S (ESOL)
-6.77
Class (ESOL)
Insoluble
Log S (Ali)
-7.91
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.46
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)
-1.84
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
Customers Also Viewed
-
![CAS 875339-21-2 methyl 7-chlorothieno[3,2-b]pyridine-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 7-chlorothieno[3,2-b]pyridine-2-carboxylate
- CAS RN: 875339-21-2
- Product Code: SSC-197638
-
7-chloro-2-tributylstannanyl-thieno[3,2-b]pyridine
- CAS RN: 875339-66-5
- Product Code: SSC-197639
-
4-Chlorothieno[3,2-d]pyriMidine-6-carbaldehyde
- CAS RN: 875340-14-0
- Product Code: SSC-197640
-
-
-
![CAS 875339-21-2 methyl 7-chlorothieno[3,2-b]pyridine-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/875339-21-2.gif)
![CAS 875339-66-5 7-chloro-2-tributylstannanyl-thieno[3,2-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/875339-66-5.gif)
![CAS 875340-14-0 4-Chlorothieno[3,2-d]pyriMidine-6-carbaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/875340-14-0.gif)
![CAS 875340-57-1 7-Chloro-1-methyl-1H-pyrrolo[2,3-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/875340-57-1.gif)
![CAS 875340-62-8 6-Bromo-thieno[3,2-b]pyridin-7-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/875340-62-8.gif)
![CAS 875340-81-1 3-[(tert-ButyldiMethylsilanyl)oxy]azetidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/875340-81-1.gif)