Research chemical
CAS Number: 1245748-55-3
![(11bR)-2,6-di-2-naphthalenyl-3,3,5,5-tetraoxide-Dinaphtho[2,1-d:1',2'-f][1,3,2]dithiazepine molecular structure, CAS 1245748-55-3](/structure-images/1245748-55-3.png?v=struct-v3)
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Product details
For laboratory research and professional procurement workflows.
PubChem CID
46930594
Exact Mass
647.122501
InChIKey
ITGYMDVHGTWSIO-UHFFFAOYSA-N
IUPAC Name
10,16-dinaphthalen-2-yl-12lambda6,14lambda6-dithia-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 12,12,14,14-tetraoxide
SMILES String
C1=CC=C2C=C(C=CC2=C1)C3=CC4=CC=CC=C4C5=C3S(=O)(=O)NS(=O)(=O)C6=C5C7=CC=CC=C7C=C6C8=CC9=CC=CC=C9C=C8
No physical property values available.
XLogP
10
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
47
H-bond acceptors
5
H-bond donors
1
Rotatable bonds
2
Ring count
9
Aromatic rings
8
Topological polar surface area
80.31 Ų
Computed LogP
9.28
Structural features
(11bR)-2,6-di-2-naphthalenyl-3,3,5,5-tetraoxide-Dinaphtho[2,1-d:1',2'-f][1,3,2]dithiazepine (CAS 1245748-55-3) is listed in the Catalysts and Ligands portfolio, with molecular formula C40H25NO4S2 and molecular weight 647. 80 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for catalysis development, ligand screening, and synthetic method research; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
SDS signal word: Warning; hazard codes: H302, H315, H319, H335; For research use only.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Procurement notes
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Purity, lot identity, and batch-specific documentation are confirmed before procurement decisions.
Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.
Final quote depends on quantity, lead time, destination, and supplier confirmation.
(11bR)-2,6-di-2-naphthalenyl-3,3,5,5-tetraoxide-Dinaphtho[2,1-d:1',2'-f][1,3,2]dithiazepine is listed as in-stock / available for research-use sourcing review. Final availability, lot specification, and lead time are confirmed by RFQ.
The page shows a public reference price in the quote panel. Submit an RFQ to confirm current price, quantity breaks, lead time, and destination-specific shipping requirements.
Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.
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.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestPrecautionary statements: P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
Supplier SDS precautionary code reference; confirm full text in supplier documentation.
Shipment review: Required
Certificate of Analysis (COA): By request
Supplier Safety Data Sheet (SDS): By request
Purity and pack size confirmation: By request
Availability and lead time review: Confirmed by RFQ
Shipment documentation review: By request
For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference
Additional text reference cues are not available for this catalog entry.
Non-public references are shown as text only and do not imply equivalence, availability, or shared use.