CAS RN: 721970-37-2

N-Methyl Moxifloxacin

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250903 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS721970-37-2
  • Purity/Analytical Methods: >99.0%
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721970-37-2 / 1-cyclopropyl-6-fluoro-8-methoxy-7-(1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl)-4-oxoquinoline-3-carboxylic acid

Standard CAS: 721970-37-2 Multi CAS: Yes

Basic Information

CAS
721970-37-2
Multi CAS
Yes
Molecular Formula
C22FH26N3O4
Molecular Weight
415.500000
Exact Mass
415.190734
InChI
InChI=1S/C22H26FN3O4/c1-24-7-3-4-12-9-25(11-17(12)24)19-16(23)8-14-18(21(19)30-2)26(13-5-6-13)10-15(20(14)27)22(28)29/h8,10,12-13,17H,3-7,9,11H2,1-2H3,(H,28,29)/t12-,17+/m0/s1
InChIKey
RBOQKHOVSOJSBL-YVEFUNNKSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
10
Fraction Csp3
0.55
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
111.3
TPSA
75.01

LogP / Solubility

WLOGP
2.71
MLOGP
2.41
XLogP3
1.1
Consensus LogP
2.07
Log S (ESOL)
-4.11
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.33

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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