Research chemical
CAS Number: 1216622-99-9
![5-chloro-N-[2-(dimethylamino)ethyl]-N-{10,13-dioxa-4-thia-6-azatricyclo[7.4.0.0^{3,7}]trideca-1,3(7),5,8-tetraen-5-yl}thiophene-2-carboxamide hydrochloride molecular structure, CAS 1216622-99-9](/structure-images/1216622-99-9.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
16834564
Exact Mass
459.024489
InChIKey
CNVLCUHAASSNMD-UHFFFAOYSA-N
IUPAC Name
5-chloro-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide;hydrochloride
SMILES String
CN(C)CCN(C(=O)c1ccc(Cl)s1)c1nc2cc3c(cc2s1)OCCO3.Cl
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.
5-chloro-N-[2-(dimethylamino)ethyl]-N-{10,13-dioxa-4-thia-6-azatricyclo[7.4.0.0^{3,7}]trideca-1,3(7),5,8-tetraen-5-yl}thiophene-2-carboxamide hydrochloride is identified by CAS 1216622-99-9, with molecular formula C18H19Cl2N3O3S2, molecular weight 460.4, InChIKey CNVLCUHAASSNMD-UHFFFAOYSA-N.
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Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
28
H-bond acceptors
6
H-bond donors
0
Rotatable bonds
5
Ring count
4
Aromatic rings
3
Topological polar surface area
54.9 Ų
Computed LogP
4.41
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
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
5-chloro-N-[2-(dimethylamino)ethyl]-N-{10,13-dioxa-4-thia-6-azatricyclo[7. 4. 0.
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, drug-like rule profile.
Documentation needs
Review supplier documentation before handling; for research use only.
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