CAS RN: 98105-79-4
1-(p-Fluoro-phenyl-6-fluoro-7-chloro-4-oxo-3-quinolinecarboxylic acid
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260103 | 50mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS98105-79-4
- Purity/Analytical Methods: >99.0%
98105-79-4 / 7-chloro-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid
Basic Information
CAS
98105-79-4
Multi CAS
No
Molecular Formula
C16H8CLF2NO3
Molecular Weight
335.690000
Exact Mass
335.016077
InChI
InChI=1S/C16H8ClF2NO3/c17-12-6-14-10(5-13(12)19)15(21)11(16(22)23)7-20(14)9-3-1-8(18)2-4-9/h1-7H,(H,22,23)
InChIKey
FBAMWRYINJFGPJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
16
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
81.43
TPSA
59.3
LogP / Solubility
WLOGP
3.62
MLOGP
3.2
XLogP3
4.4
Consensus LogP
3.74
Log S (ESOL)
-4.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.09
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)
-2.2
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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![CAS 98113-06-5 4-[(2-AMINOETHYL)SULFONYL]-MORPHOLINE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/98113-06-5.gif)
