Research chemical
CAS Number: 2241669-09-8
Product details
For laboratory research and professional procurement workflows.
PubChem CID
147878433
Exact Mass
930.432104
InChIKey
HZYVWSXXYHBZTO-KDJNBPRZSA-N
IUPAC Name
[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] N-[3-[2-[2-[3-[[(2R)-2-acetamido-3-[[2-amino-9-[(4-fluorophenyl)methyl]-6-oxo-1H-purin-8-yl]sulfanyl]propanoyl]amino]propoxy]ethoxy]ethoxy]propyl]carbamate
SMILES String
CO[C@@H]1[C@H](OC(=O)NCCCOCCOCCOCCCNC(=O)[C@H](CSc2nc3c(=O)[nH]c(N)nc3n2Cc2ccc(F)cc2)NC(C)=O)CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Autac1 is identified by CAS 2241669-09-8, with molecular formula C44H63FN8O11S, molecular weight 931.1, InChIKey HZYVWSXXYHBZTO-KDJNBPRZSA-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
65
H-bond acceptors
19
H-bond donors
6
Rotatable bonds
26
Ring count
6
Aromatic rings
3
Topological polar surface area
248.1 Ų
Computed LogP
3.23
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
Autac1 (CAS 2241669-09-8) is maintained as a commercial cas reference with formula C44H63FN8O11S, molecular weight 931. 10 g/mol, PubChem CID 147878433.
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.