Research chemical
CAS Number: 625377-78-8
![Ethyl 5-({[3-amino-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]carbonyl}amino)-4-cyano-3-methyl-2-thiophenecarboxylate molecular structure, CAS 625377-78-8](/structure-images/625377-78-8.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
3592712
Exact Mass
588.074897
InChIKey
VOBYIIGIJZXSIT-UHFFFAOYSA-N
IUPAC Name
ethyl 5-[[3-amino-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]-4-cyano-3-methylthiophene-2-carboxylate
SMILES String
CCOC(=O)c1sc(NC(=O)c2sc3nc(-c4ccc5c(c4)OCCO5)cc(C(F)(F)F)c3c2N)c(C#N)c1C
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.
Ethyl 5-({[3-amino-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]carbonyl}amino)-4-cyano-3-methyl-2-thiophenecarboxylate is identified by CAS 625377-78-8, with molecular formula C26H19F3N4O5S2, molecular weight 588.6, InChIKey VOBYIIGIJZXSIT-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
9
H-bond donors
3
Rotatable bonds
5
Ring count
5
Aromatic rings
4
Topological polar surface area
136.56 Ų
Computed LogP
6.01
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 3592712.
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.
Safety and handling reference content is available through documentation requests.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.