Research chemical
Bisucaberin
CAS Number: 112972-60-8
Product details
Identity & specification
- Molecular formula
- C18H32N4O6
- Molecular weight
- 400.5 g/mol
- Product type
- Research-use catalog compound
- Documentation
- COA / SDS available by request
For laboratory research and professional procurement workflows.
Technical identifiers
Show PubChem, InChIKey, IUPAC, and SMILES
PubChem CID
133971
Exact Mass
400.232185
InChIKey
GTADQMQBQBOJIO-UHFFFAOYSA-N
IUPAC Name
1,12-dihydroxy-1,6,12,17-tetrazacyclodocosane-2,5,13,16-tetrone
SMILES String
C1CCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CC1)O)O
Physical Properties
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Computed Structure Descriptors
Show calculated structure fields
Heavy atom count
28
H-bond acceptors
10
H-bond donors
4
Rotatable bonds
0
Ring count
1
Aromatic rings
0
Topological polar surface area
139.28 Ų
Computed LogP
0.57
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.
Catalog Facts
Structural features
Bisucaberin (CAS 112972-60-8) is maintained as a cataloged research chemical with formula C18H32N4O6, molecular weight 400. 50 g/mol, PubChem CID 133971.
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, drug-like rule profile.
Documentation needs
Review supplier documentation before handling; for research use only.
Applications & Classification
Safety & Handling
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Catalog navigation
Related Catalog Entries
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Procurement questions
What are the key identifiers for Bisucaberin (CAS 112972-60-8)?
Bisucaberin is identified by CAS 112972-60-8, with molecular formula C18H32N4O6, molecular weight 400.5, InChIKey GTADQMQBQBOJIO-UHFFFAOYSA-N.
Can I request a COA for CAS 112972-60-8?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for Bisucaberin?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 112972-60-8 available for quotation?
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Can MolGraph support bulk sourcing or custom synthesis review?
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.