Research chemical
CAS Number: 1215661-18-9
![Methyl 6-ethyl-2-(4-((1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl)benzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate hydrochloride molecular structure, CAS 1215661-18-9](/structure-images/1215661-18-9.png?v=struct-v3)
Product details
PubChem CID
16806172
Exact Mass
595.194141
InChIKey
XTZWUCDXDOXOKL-UHFFFAOYSA-N
IUPAC Name
methyl 6-ethyl-2-[[4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;hydrochloride
SMILES String
CCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CC5(C)CC4CC(C)(C)C5)cc3)c2C(=O)OC)C1.Cl
No physical property values available.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Methyl 6-ethyl-2-(4-((1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl)benzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate hydrochloride is identified by CAS 1215661-18-9, with molecular formula C28H38ClN3O5S2, molecular weight 596.2, InChIKey XTZWUCDXDOXOKL-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
39
H-bond acceptors
8
H-bond donors
1
Rotatable bonds
6
Ring count
5
Aromatic rings
2
Topological polar surface area
96.02 Ų
Computed LogP
5.18
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
Methyl 6-ethyl-2-(4-((1,3,3-trimethyl-6-azabicyclo[3. 2.
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.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.