Research chemical
CAS Number: 312585-18-5
![3-(2,2-Dimethyloxan-4-yl)-2-sulfanylidenespiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one molecular structure, CAS 312585-18-5](/structure-images/312585-18-5.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
2861805
Exact Mass
410.202799
InChIKey
DSAVXXSXNFGQRS-UHFFFAOYSA-N
SMILES String
CC1(C)CC(n2c(S)nc3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)CCO1
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
3-(2,2-Dimethyloxan-4-yl)-2-sulfanylidenespiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one is identified by CAS 312585-18-5, with molecular formula C24H30N2O2S, molecular weight 410.6, InChIKey DSAVXXSXNFGQRS-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Heavy atom count
29
H-bond acceptors
4
H-bond donors
0
Rotatable bonds
1
Ring count
5
Aromatic rings
2
Topological polar surface area
44.12 Ų
Computed LogP
5.09
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
3-(2,2-Dimethyloxan-4-yl)-2-sulfanylidenespiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one (CAS 312585-18-5) is maintained as a commercial cas reference with formula C24H30N2O2S, molecular weight 410. 60 g/mol, PubChem CID 2861805.
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, drug-like rule profile.
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.