Research chemical
CAS Number: 1135017-70-7
![4-(4-benzylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidine dioxalate molecular structure, CAS 1135017-70-7](/structure-images/1135017-70-7.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
24320296
Exact Mass
558.178435
InChIKey
DHDUANLPOVTZGX-UHFFFAOYSA-N
IUPAC Name
3-(4-benzylpiperazin-1-yl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene;oxalic acid
SMILES String
O=C(O)C(=O)O.O=C(O)C(=O)O.c1ccc(CN2CCN(c3ncnc4sc5c(c34)CCCCC5)CC2)cc1
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
4-(4-benzylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidine dioxalate is identified by CAS 1135017-70-7, with molecular formula C26H30N4O8S, molecular weight 558.6, InChIKey DHDUANLPOVTZGX-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.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Heavy atom count
39
H-bond acceptors
12
H-bond donors
4
Rotatable bonds
3
Ring count
5
Aromatic rings
3
Topological polar surface area
181.46 Ų
Computed LogP
2.59
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
4-(4-benzylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidine dioxalate (CAS 1135017-70-7) is maintained as a cataloged research chemical with formula C26H30N4O8S, molecular weight 558. 60 g/mol, PubChem CID 24320296.
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.