Research chemical
CAS Number: 380488-27-7
Product details
For laboratory research and professional procurement workflows.
PubChem CID
44405676
Exact Mass
1783.931975
InChIKey
PHTIQAVQWWOKNF-RNEDXEELSA-N
IUPAC Name
3-[(3S,6R,9R,15R,18S,21S,24R,30S,33R,36R,42R,45S,48S,51R)-18,45-bis(4-aminobutyl)-48-(3-amino-3-oxopropyl)-3,6,15,30,33,42-hexabenzyl-2,5,8,14,17,20,23,29,32,35,41,44,47,50-tetradecaoxo-1,4,7,13,16,19,22,28,31,34,40,43,46,49-tetradecazapentacyclo[49.3.0.09,13.024,28.036,40]tetrapentacontan-21-yl]propanamide
SMILES String
NCCCC[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC1=O
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
187-1, N-WASP inhibitor is identified by CAS 380488-27-7, with molecular formula C96H122N18O16, molecular weight 1784.1, InChIKey PHTIQAVQWWOKNF-RNEDXEELSA-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.
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
130
H-bond acceptors
34
H-bond donors
18
Rotatable bonds
26
Ring count
11
Aromatic rings
6
Topological polar surface area
510.46 Ų
Computed LogP
1.06
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
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
187-1, N-WASP inhibitor (CAS 380488-27-7) is maintained as a commercial cas reference with formula C96H122N18O16, molecular weight 1784. 10 g/mol, PubChem CID 44405676.
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.
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.