Research chemical
CAS Number: 3031591-40-6
![2-(3,4,5-Trimethoxyphenyl)-2,3-dihydro-1H-naphtho[1,8-DE][1,3,2]diazaborinine molecular structure, CAS 3031591-40-6](/structure-images/3031591-40-6.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
177929755
Exact Mass
334.148873
InChIKey
JUKKBZVSABKKLE-UHFFFAOYSA-N
IUPAC Name
3-(3,4,5-trimethoxyphenyl)-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene
SMILES String
COc1cc(B2Nc3cccc4cccc(c34)N2)cc(OC)c1OC
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
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.
2-(3,4,5-Trimethoxyphenyl)-2,3-dihydro-1H-naphtho[1,8-DE][1,3,2]diazaborinine is identified by CAS 3031591-40-6, with molecular formula C19H19BN2O3, molecular weight 334.2, InChIKey JUKKBZVSABKKLE-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Heavy atom count
25
H-bond acceptors
5
H-bond donors
2
Rotatable bonds
4
Ring count
4
Aromatic rings
3
Topological polar surface area
51.75 Ų
Computed LogP
3.1
Fragment-like structure rule
No
Lead-like structure rule
Yes
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
Yes
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
2-(3,4,5-Trimethoxyphenyl)-2,3-dihydro-1H-naphtho[1,8-DE][1,3,2]diazaborinine (CAS 3031591-40-6) is maintained as a commercial cas reference with formula C19H19BN2O3, molecular weight 334. 20 g/mol, PubChem CID 177929755.
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 nitrogen-containing heterocycle, boronic-acid-related structure, lead-like structure profile, 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.