Research chemical
CAS Number: 1894243-23-2
![(1S,2S,6R,8S)-4-[(1S)-1-chloro-2-(7-methylbenzofuran-3-yl)ethyl]-2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.02,6]decane molecular structure, CAS 1894243-23-2](/structure-images/1894243-23-2.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
132586886
Exact Mass
372.166353
InChIKey
SFXSOFTWVZWDOJ-BKXHUWGXSA-N
IUPAC Name
(1S,2S,6R,8S)-4-[(1S)-1-chloro-2-(7-methyl-1-benzofuran-3-yl)ethyl]-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane
SMILES String
Cc1cccc2c(C[C@@H](Cl)B3O[C@@H]4C[C@@H]5C[C@@H](C5(C)C)[C@]4(C)O3)coc12
No physical property values available.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
(1S,2S,6R,8S)-4-[(1S)-1-chloro-2-(7-methylbenzofuran-3-yl)ethyl]-2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.02,6]decane is identified by CAS 1894243-23-2, with molecular formula C21H26BClO3, molecular weight 372.7, InChIKey SFXSOFTWVZWDOJ-BKXHUWGXSA-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.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
26
H-bond acceptors
3
H-bond donors
0
Rotatable bonds
3
Ring count
6
Aromatic rings
2
Topological polar surface area
31.6 Ų
Computed LogP
5.16
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
(1S,2S,6R,8S)-4-[(1S)-1-chloro-2-(7-methylbenzofuran-3-yl)ethyl]-2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6. 1. 1. 02,6]decane (CAS 1894243-23-2) is maintained as a commercial cas reference with formula C21H26BClO3, molecular weight 372.
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.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.