Research chemical
CAS Number: 2742078-11-9
![7-(4-{5-amino-1-[4-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carbonyl}piperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid molecular structure, CAS 2742078-11-9](/structure-images/2742078-11-9.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
163347234
Exact Mass
563.175102
InChIKey
GOAWXUSVWNPQOD-UHFFFAOYSA-N
IUPAC Name
7-[4-[5-amino-1-(4-methylsulfanylphenyl)triazole-4-carbonyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
SMILES String
CSc1ccc(-n2nnc(C(=O)N3CCN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)CC3)c2N)cc1
No physical property values available.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
7-(4-{5-amino-1-[4-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carbonyl}piperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid is identified by CAS 2742078-11-9, with molecular formula C27H26FN7O4S, molecular weight 563.6, InChIKey GOAWXUSVWNPQOD-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Ordering
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Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
40
H-bond acceptors
11
H-bond donors
3
Rotatable bonds
6
Ring count
6
Aromatic rings
4
Topological polar surface area
139.58 Ų
Computed LogP
3.02
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
60 g/mol, PubChem CID 163347234.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
Review supplier documentation before handling; for research use only.
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