![CAS 1029364-73-5 1-Cyclopropyl-1,4-dihydro-6,8-dimethoxy-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/2023/05/1029364-73-5.gif)
CAS RN: 1029364-73-5
1-Cyclopropyl-1,4-dihydro-6,8-dimethoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-3-quinolinecarboxylic acid
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250717 | 1mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1029364-73-5
- Purity/Analytical Methods: >99.0%
1029364-73-5 / 7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6,8-dimethoxy-4-oxoquinoline-3-carboxylic acid
6,8-Dimethoxymoxifloxacin | 6,8-Dimethoxy Moxifloxacin Hydrochloride | Moxifloxacin EP impurity B
Basic Information
CAS
1029364-73-5
Multi CAS
Yes
Molecular Formula
C22H27N3O5
Molecular Weight
413.500000
Exact Mass
413.195071
SMILES
COC1=C(C(=C2C(=C1)C(=O)C(=CN2C3CC3)C(=O)O)OC)N4C[C@@H]5CCCN[C@@H]5C4
InChI
InChI=1S/C22H27N3O5/c1-29-17-8-14-18(25(13-5-6-13)10-15(20(14)26)22(27)28)21(30-2)19(17)24-9-12-4-3-7-23-16(12)11-24/h8,10,12-13,16,23H,3-7,9,11H2,1-2H3,(H,27,28)/t12-,16+/m0/s1
InChIKey
SPLQOJJBWRDKQP-BLLLJJGKSA-N
Synonyms
6,8-Dimethoxymoxifloxacin
6,8-Dimethoxy Moxifloxacin Hydrochloride
Moxifloxacin EP impurity B
6,8-Dimethoxy moxifloxacin
283Q61MZID
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
10
Fraction Csp3
0.55
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
2
Molar refractivity
113.27
TPSA
93.03
LogP / Solubility
WLOGP
2.24
MLOGP
2
XLogP3
0.5
Consensus LogP
1.58
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.81
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)
-3.65
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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