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CAS 106939-42-8 Levofloxacin Impurity 11 molecular structure lightbox
CAS RN: 106939-42-8

Levofloxacin Impurity 11

  • Product code: SSC-008429
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 106939-42-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

106939-42-8 / (3S)-7,8-difluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine

7,8-Difluoro-2,3-dihydro-3-methyl-4H-(1,4)benzoxazine | 7,8-difluoro-2,3-dihydro-3-methyl-4h-[1,4]benzoxazine | RefChem:309920

Standard CAS: 106939-42-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
106939-42-8
Multi CAS
Yes
Molecular Formula
C9H9F2NO
Molecular Weight
185.170000
Exact Mass
185.065220
SMILES
C[C@H]1COC2=C(N1)C=CC(=C2F)F
InChI
InChI=1S/C9H9F2NO/c1-5-4-13-9-7(12-5)3-2-6(10)8(9)11/h2-3,5,12H,4H2,1H3/t5-/m0/s1
InChIKey
BVHSAZFNVBBGNX-YFKPBYRVSA-N
Synonyms
7,8-Difluoro-2,3-dihydro-3-methyl-4H-(1,4)benzoxazine 7,8-difluoro-2,3-dihydro-3-methyl-4h-[1,4]benzoxazine RefChem:309920 7,8-Difluoro-3-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine 7,8-difluoro-2,3-dihydro-3-methyl-[4H]-1,4-benzoxazine

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.94
TPSA
21.26

LogP / Solubility

WLOGP
2.16
MLOGP
1.9
XLogP3
2.3
Consensus LogP
2.12
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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