Research chemical
CAS Number: 1057725-14-0
![7-Chloro-2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazolin-4-one molecular structure, CAS 1057725-14-0](/structure-images/1057725-14-0.png?v=struct-v3)
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Product details
For laboratory research and professional procurement workflows.
PubChem CID
42883669
Exact Mass
446.070321
InChIKey
OSCNHIAEDLGFLF-UHFFFAOYSA-N
IUPAC Name
7-chloro-2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-3-(oxolan-2-ylmethyl)quinazolin-4-one
SMILES String
O=C(CSc1nc2cc(Cl)ccc2c(=O)n1CC1CCCO1)c1ccc(O)c(O)c1
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
30
H-bond acceptors
7
H-bond donors
2
Rotatable bonds
6
Ring count
4
Aromatic rings
3
Topological polar surface area
101.65 Ų
Computed LogP
3.62
Structural features
7-Chloro-2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazolin-4-one (CAS 1057725-14-0) is maintained as a cataloged research chemical with formula C21H19ClN2O5S, molecular weight 446. 90 g/mol, PubChem CID 42883669.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for identity verification, package-aware sourcing review, and RFQ preparation; structure-derived tags include nitrogen-containing heterocycle, drug-like rule profile.
Documentation needs
SDS signal word: Warning; hazard codes: H302, H312, H332; for research use only.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Procurement notes
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Use the quote panel for visible public options. Additional quantities or specifications can be reviewed by RFQ.
Purity, lot identity, and batch-specific documentation are confirmed before procurement decisions.
Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.
Final quote depends on quantity, lead time, destination, and supplier confirmation.
7-Chloro-2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazolin-4-one is listed as in-stock / available for research-use sourcing review. Final availability, lot specification, and lead time are confirmed by RFQ.
The page shows a public reference price in the quote panel. Submit an RFQ to confirm current price, quantity breaks, lead time, and destination-specific shipping requirements.
Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.
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.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestAvailability and lead time review: Confirmed by RFQ
Shipment documentation review: By request
For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference
Additional text reference cues are not available for this catalog entry.
Non-public references are shown as text only and do not imply equivalence, availability, or shared use.