CAS RN: 35978-33-7
ETHYL 2-AMINO-4-(4-FLUOROPHENYL)THIOPHENE-3-CARBOXYLATE
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
- Product code: starshine_CAS35978-33-7
- Purity/Analytical Methods: >99.0%
35978-33-7 / ethyl 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylate
Basic Information
CAS
35978-33-7
Multi CAS
No
Molecular Formula
C13FH12NO2S
Molecular Weight
265.310000
Exact Mass
265.057278
InChI
InChI=1S/C13H12FNO2S/c1-2-17-13(16)11-10(7-18-12(11)15)8-3-5-9(14)6-4-8/h3-7H,2,15H2,1H3
InChIKey
CJMZLCRLBNZJQR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.15
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
70.08
TPSA
52.32
LogP / Solubility
WLOGP
3.31
MLOGP
2.92
XLogP3
3.8
Consensus LogP
3.34
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.49
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 35978-39-3 7-phenyl-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-5-one molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
7-phenyl-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-5-one
- CAS RN: 35978-39-3
- Product Code: SSC-143052
-
-
H-HIS-TYR-OH
- CAS RN: 35979-00-1
- Product Code: starshine_CAS35979-00-1
- Purity/Analytical method: >99.0%
-
-
-
![CAS 35978-39-3 7-phenyl-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-5-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/35978-39-3.gif)
