Research chemical
CAS Number: 40070-59-5
Product details
For laboratory research and professional procurement workflows.
PubChem CID
417069
Exact Mass
567.93777
InChIKey
MRDOFVRMTNWMDA-UHFFFAOYSA-N
IUPAC Name
2-bromo-4-[3-(3-bromo-4-hydroxy-2,5-dimethylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-3,6-dimethylphenol
SMILES String
CC1=CC(=C(C(=C1O)Br)C)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=C(C(=C(C(=C4)C)O)Br)C
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.
Bromoxylenol blue is identified by CAS 40070-59-5, with molecular formula C23H20Br2O5S, molecular weight 568.3, InChIKey MRDOFVRMTNWMDA-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.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
31
H-bond acceptors
5
H-bond donors
2
Rotatable bonds
2
Ring count
4
Aromatic rings
3
Topological polar surface area
83.83 Ų
Computed LogP
5.87
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
Structure family
other structure rule
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
No
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
Bromoxylenol blue (CAS 40070-59-5) is maintained as a commercial cas reference with formula C23H20Br2O5S, molecular weight 568. 30 g/mol, PubChem CID 417069.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include drug-like rule profile.
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.