Research chemical
CAS Number: 1135016-77-1
![Ethyl 6-methyl-2-(2-{[3-(morpholin-4-YL)propyl]amino}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate; bis(oxalic acid) molecular structure, CAS 1135016-77-1](/structure-images/1135016-77-1.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
24320298
Exact Mass
603.209795
InChIKey
LEWJPMLUVAEVDA-UHFFFAOYSA-N
IUPAC Name
ethyl 6-methyl-2-[[2-(3-morpholin-4-ylpropylamino)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;oxalic acid
SMILES String
CCOC(=O)c1c(NC(=O)CNCCCN2CCOCC2)sc2c1CCC(C)C2.O=C(O)C(=O)O.O=C(O)C(=O)O
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 6-methyl-2-(2-{[3-(morpholin-4-YL)propyl]amino}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate; bis(oxalic acid) is identified by CAS 1135016-77-1, with molecular formula C25H37N3O12S, molecular weight 603.6, InChIKey LEWJPMLUVAEVDA-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
41
H-bond acceptors
15
H-bond donors
6
Rotatable bonds
9
Ring count
3
Aromatic rings
1
Topological polar surface area
229.1 Ų
Computed LogP
0.61
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
Ethyl 6-methyl-2-(2-{[3-(morpholin-4-YL)propyl]amino}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate; bis(oxalic acid) (CAS 1135016-77-1) is maintained as a cataloged research chemical with formula C25H37N3O12S, molecular weight 603.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for identity verification, supplier-aware sourcing review, and RFQ preparation; 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.
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.