Research chemical
CAS Number: 338399-25-0
-2-pyridinyl]amino}ethyl)amino]ethyl N-(4-nitrophenyl)carbamate molecular structure, CAS 338399-25-0](/structure-images/338399-25-0.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
3811992
Exact Mass
626.067077
InChIKey
CATIZYXKCJMHNV-UHFFFAOYSA-N
IUPAC Name
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]ethyl N-(4-nitrophenyl)carbamate
SMILES String
O=C(Nc1ccc([N+](=O)[O-])cc1)OCCN(CCNc1ncc(C(F)(F)F)cc1Cl)c1ncc(C(F)(F)F)cc1Cl
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.
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)amino]ethyl N-(4-nitrophenyl)carbamate is identified by CAS 338399-25-0, with molecular formula C23H18Cl2F6N6O4, molecular weight 627.3, InChIKey CATIZYXKCJMHNV-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
41
H-bond acceptors
10
H-bond donors
2
Rotatable bonds
10
Ring count
3
Aromatic rings
3
Topological polar surface area
122.52 Ų
Computed LogP
6.9
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
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)amino]ethyl N-(4-nitrophenyl)carbamate (CAS 338399-25-0) is maintained as a commercial cas reference with formula C23H18Cl2F6N6O4, molecular weight 627.
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
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