Research chemical
CAS Number: 106401-68-7
Product details
For laboratory research and professional procurement workflows.
PubChem CID
72941581
Exact Mass
651.13152
InChIKey
JIMPRCTWUQVCIT-BJRCHLRVSA-N
IUPAC Name
(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-(2-bromo-1,1-dimethoxyethyl)-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
SMILES String
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(CBr)(OC)OC)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1
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.
Daunorubicin bromoketal is identified by CAS 106401-68-7, with molecular formula C29H34BrNO11, molecular weight 652.5, InChIKey JIMPRCTWUQVCIT-BJRCHLRVSA-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.
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
42
H-bond acceptors
12
H-bond donors
6
Rotatable bonds
7
Ring count
5
Aromatic rings
2
Topological polar surface area
187.23 Ų
Computed LogP
1.82
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
Daunorubicin bromoketal (CAS 106401-68-7) is maintained as a cataloged research chemical with formula C29H34BrNO11, molecular weight 652. 50 g/mol, PubChem CID 72941581.
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.