CAS RN: 143158-55-8
1-cyclopropyl-8-ethoxy-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: starshine_CAS143158-55-8
- Purity/Analytical Methods: >99.0%
143158-55-8 / 1-cyclopropyl-8-ethoxy-6,7-difluoro-4-oxoquinoline-3-carboxylic acid
Basic Information
CAS
143158-55-8
Multi CAS
No
Molecular Formula
C15H13F2NO4
Molecular Weight
309.260000
Exact Mass
309.081264
SMILES
CCOC1=C2C(=CC(=C1F)F)C(=O)C(=CN2C3CC3)C(=O)O
InChI
InChI=1S/C15H13F2NO4/c1-2-22-14-11(17)10(16)5-8-12(14)18(7-3-4-7)6-9(13(8)19)15(20)21/h5-7H,2-4H2,1H3,(H,20,21)
InChIKey
OPQCGNDAHQOQPC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
10
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
74.52
TPSA
68.53
LogP / Solubility
WLOGP
2.71
MLOGP
2.4
XLogP3
3.1
Consensus LogP
2.74
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.4
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
-
3-(1,4-DIOXASPIRO[4.5]DEC-7-EN-8-YL)-1H-INDOLE
- CAS RN: 143165-32-6
- Product Code: starshine_CAS143165-32-6
- Purity/Analytical method: >99.0%
-
-
9,9-bis[4-(2-hydroxy-3-acryloyloxypropoxy)phenyl]fluorene
- CAS RN: 143182-97-2
- Product Code: starshine_CAS143182-97-2
- Purity/Analytical method: >99.0%
-
1-BUTYL-2-((E)-3-[1-BUTYLBENZO[CD]INDOL-2(1H)-YLIDENE]-1-PROPENYL)BENZO[CD]INDOLIUM TETRAFLUOROBORATE
- CAS RN: 143185-79-9
- Product Code: starshine_CAS143185-79-9
- Purity/Analytical method: >99.0%
![CAS 143165-32-6 3-(1,4-DIOXASPIRO[4.5]DEC-7-EN-8-YL)-1H-INDOLE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB7410134.gif)
![CAS 143182-97-2 9,9-bis[4-(2-hydroxy-3-acryloyloxypropoxy)phenyl]fluorene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/143182-97-2.gif)
![CAS 143185-79-9 1-BUTYL-2-((E)-3-[1-BUTYLBENZO[CD]INDOL-2(1H)-YLIDENE]-1-PROPENYL)BENZO[CD]INDOLIUM TETRAFLUOROBORATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/143185-79-9.gif)