Research chemical
CAS Number: 1010881-20-5
![1-{4-[(7-chloro-2,1,3-benzoxadiazol-4-yl)sulfonyl]piperazin-1-yl}-4-(1H-indol-3-yl)butan-1-one molecular structure, CAS 1010881-20-5](/structure-images/1010881-20-5.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
42569487
Exact Mass
487.108103
InChIKey
LAXKXJRVDYNLKN-UHFFFAOYSA-N
IUPAC Name
1-[4-[(4-chloro-2,1,3-benzoxadiazol-7-yl)sulfonyl]piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
SMILES String
O=C(CCCc1c[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccc(Cl)c3nonc23)CC1
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.
1-{4-[(7-chloro-2,1,3-benzoxadiazol-4-yl)sulfonyl]piperazin-1-yl}-4-(1H-indol-3-yl)butan-1-one is identified by CAS 1010881-20-5, with molecular formula C22H22ClN5O4S, molecular weight 488, InChIKey LAXKXJRVDYNLKN-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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XLogP
2.6
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
33
H-bond acceptors
9
H-bond donors
1
Rotatable bonds
6
Ring count
5
Aromatic rings
4
Topological polar surface area
112.4 Ų
Computed LogP
3.21
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
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
1-{4-[(7-chloro-2,1,3-benzoxadiazol-4-yl)sulfonyl]piperazin-1-yl}-4-(1H-indol-3-yl)butan-1-one (CAS 1010881-20-5) is an English MolGraph catalog reference, molecular formula C22H22ClN5O4S and molecular weight 488. 00 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page to review identity data, application tags, sourcing readiness, and RFQ context for heterocyclic building-block research, research chemical sourcing.
Documentation needs
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Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.