Research chemical
CAS Number: 1227359-71-8
![2-[2-(4-Chlorophenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane molecular structure, CAS 1227359-71-8](/structure-images/1227359-71-8.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
166452002
Exact Mass
392.209698
InChIKey
DPCVERIETSMENQ-UHFFFAOYSA-N
SMILES String
CC1(C)OB(C(Cc2ccc(Cl)cc2)B2OC(C)(C)C(C)(C)O2)OC1(C)C
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
2-[2-(4-Chlorophenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is identified by CAS 1227359-71-8, with molecular formula C20H31B2ClO4, molecular weight 392.5, InChIKey DPCVERIETSMENQ-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Heavy atom count
27
H-bond acceptors
4
H-bond donors
0
Rotatable bonds
4
Ring count
3
Aromatic rings
1
Topological polar surface area
36.92 Ų
Computed LogP
4.98
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
Structure family
boronic acid or boronate
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
No
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-[2-(4-Chlorophenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 1227359-71-8) is maintained as a commercial cas reference with formula C20H31B2ClO4, molecular weight 392. 50 g/mol, PubChem CID 166452002.
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 boronic-acid-related structure, 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.