CAS RN: 1029364-77-9
8-Fluoro-6-methoxy Moxifloxacin Dihydrochloride
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.20260525 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1029364-77-9
- Purity/Analytical Methods: >99.0%
1029364-77-9 / 7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-8-fluoro-6-methoxy-4-oxoquinoline-3-carboxylic acid
1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(octahydro-6H-pyrrolo(3,4-b)pyridin-6-yl)-4-oxo-3-quinolinecarboxylic acid | RefChem:1055334 | (Rac)-Moxifloxacin
Basic Information
CAS
1029364-77-9
Multi CAS
Yes
Molecular Formula
C21H24FN3O4
Molecular Weight
401.400000
Exact Mass
401.175084
SMILES
COC1=C(C(=C2C(=C1)C(=O)C(=CN2C3CC3)C(=O)O)F)N4C[C@@H]5CCCN[C@@H]5C4
InChI
InChI=1S/C21H24FN3O4/c1-29-16-7-13-18(25(12-4-5-12)9-14(20(13)26)21(27)28)17(22)19(16)24-8-11-3-2-6-23-15(11)10-24/h7,9,11-12,15,23H,2-6,8,10H2,1H3,(H,27,28)/t11-,15+/m0/s1
InChIKey
UGXNFVOVJRJWHB-XHDPSFHLSA-N
Synonyms
1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(octahydro-6H-pyrrolo(3,4-b)pyridin-6-yl)-4-oxo-3-quinolinecarboxylic acid
RefChem:1055334
(Rac)-Moxifloxacin
1-cyclopropyl-7-(2,8-diazabicyclo[4.3.0]non-8-yl)-6-fluoro-8-methoxy-4 -oxo-quinoline-3-carboxylic acid
CID 4259
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
10
Fraction Csp3
0.52
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
106.68
TPSA
83.8
LogP / Solubility
WLOGP
2.37
MLOGP
2.11
XLogP3
0.6
Consensus LogP
1.69
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.72
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)
-3.49
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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