Research chemical
CAS Number: 2642327-52-2
Product details
For laboratory research and professional procurement workflows.
PubChem CID
168476156
Exact Mass
503.149139
InChIKey
LVPRLUILJALGIP-HNNXBMFYSA-N
IUPAC Name
[3-[[[(2S)-5-[(1-amino-2-chloroethylidene)amino]-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]pentanoyl]amino]methyl]phenyl]boronic acid
SMILES String
N=C(CCl)NCCC[C@H](Nc1ccc([N+](=O)[O-])c2nonc12)C(=O)NCc1cccc(B(O)O)c1
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.
Pad4-IN-2 is identified by CAS 2642327-52-2, with molecular formula C20H23BClN7O6, molecular weight 503.7, InChIKey LVPRLUILJALGIP-HNNXBMFYSA-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
35
H-bond acceptors
13
H-bond donors
6
Rotatable bonds
12
Ring count
3
Aromatic rings
3
Topological polar surface area
199.53 Ų
Computed LogP
0.49
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
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
Pad4-IN-2 (CAS 2642327-52-2) is maintained as a commercial cas reference with formula C20H23BClN7O6, molecular weight 503. 70 g/mol, PubChem CID 168476156.
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.
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.