![CAS 721970-36-1 1-Cyclopropyl-6-fluoro-1,4-dihydro-8-hydroxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-3-quinolinecarboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/721970-36-1.gif)
CAS RN: 721970-36-1
1-Cyclopropyl-6-fluoro-1,4-dihydro-8-hydroxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-3-quinolinecarboxylic acid
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.20250604 | 1mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS721970-36-1
- Purity/Analytical Methods: >99.0%
721970-36-1 / 7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-hydroxy-4-oxoquinoline-3-carboxylic acid
Basic Information
CAS
721970-36-1
Multi CAS
Yes
Molecular Formula
C20FH22N3O4
Molecular Weight
387.400000
Exact Mass
387.159434
InChI
InChI=1S/C20H22FN3O4/c21-14-6-12-16(24(11-3-4-11)8-13(18(12)25)20(27)28)19(26)17(14)23-7-10-2-1-5-22-15(10)9-23/h6,8,10-11,15,22,26H,1-5,7,9H2,(H,27,28)/t10-,15+/m0/s1
InChIKey
IRASTQSQRDRSEH-ZUZCIYMTSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
3
Molar refractivity
101.79
TPSA
94.8
LogP / Solubility
WLOGP
2.07
MLOGP
1.84
XLogP3
0.3
Consensus LogP
1.4
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.25
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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