Research chemical
CAS Number: 1070979-39-3
![Methyl 2-{[(tert-butoxy)carbonyl]amino}-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate molecular structure, CAS 1070979-39-3](/structure-images/1070979-39-3.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
68692126
Exact Mass
377.200968
InChIKey
PNRADUSPUQGVEG-UHFFFAOYSA-N
IUPAC Name
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
SMILES String
COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)OC(C)(C)C
Appearance
Powder or crystals
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
27
H-bond acceptors
7
H-bond donors
1
Rotatable bonds
3
Ring count
2
Aromatic rings
1
Topological polar surface area
83.09 Ų
Computed LogP
3.12
Structural features
Methyl 2-{[(tert-butoxy)carbonyl]amino}-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate (CAS 1070979-39-3) is maintained as a cataloged research chemical with formula C19H28BNO6, molecular weight 377. 20 g/mol, PubChem CID 68692126.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for identity verification, package-aware sourcing review, and RFQ preparation; structure-derived tags include nitrogen-containing heterocycle, boronic-acid-related structure, drug-like rule profile.
Documentation needs
SDS signal word: Warning; hazard codes: H302, H315, H319, H335; for research use only.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Procurement notes
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Use the quote panel for visible public options. Additional quantities or specifications can be reviewed by RFQ.
Purity, lot identity, and batch-specific documentation are confirmed before procurement decisions.
Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.
Final quote depends on quantity, lead time, destination, and supplier confirmation.
Methyl 2-{[(tert-butoxy)carbonyl]amino}-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate is listed as in-stock / available for research-use sourcing review. Final availability, lot specification, and lead time are confirmed by RFQ.
The page shows a public reference price in the quote panel. Submit an RFQ to confirm current price, quantity breaks, lead time, and destination-specific shipping requirements.
Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.
Fragment-like structure rule
No
Lead-like structure rule
No
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.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestShipment review: Required
Certificate of Analysis (COA): By request
Supplier Safety Data Sheet (SDS): By request
Purity and pack size confirmation: By request
Availability and lead time review: Confirmed by RFQ
Shipment documentation review: By request
For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference
Additional text reference cues are not available for this catalog entry.
Non-public references are shown as text only and do not imply equivalence, availability, or shared use.