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What are the key identifiers for 3-[2-(Ethylsulfanyl)ethyl] 6-methyl 4-(3-bromo-5-ethoxy-4-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate (CAS 1005176-04-4)?
3-[2-(Ethylsulfanyl)ethyl] 6-methyl 4-(3-bromo-5-ethoxy-4-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate is identified by CAS 1005176-04-4, with molecular formula C27H34BrNO7S, molecular weight 596.5, InChIKey BTFJKAMLACKNDK-UHFFFAOYSA-N.
Can I request a COA for CAS 1005176-04-4?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for 3-[2-(Ethylsulfanyl)ethyl] 6-methyl 4-(3-bromo-5-ethoxy-4-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 1005176-04-4 available for quotation?
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Can MolGraph support bulk sourcing or custom synthesis review?
Show more physical data
XLogP
5
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Computed Structure Descriptors
Show calculated structure fields
Heavy atom count
37
H-bond acceptors
8
H-bond donors
1
Rotatable bonds
10
Ring count
3
Aromatic rings
1
Topological polar surface area
100.16 Ų
Computed LogP
4.77
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.
Catalog Facts
Structural features
3-[2-(Ethylsulfanyl)ethyl] 6-methyl 4-(3-bromo-5-ethoxy-4-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate (CAS 1005176-04-4) is an English MolGraph catalog reference, molecular formula C27H34BrNO7S and molecular weight 596.
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
Request supplier-issued SDS/COA before handling, storage, shipment, or procurement decisions. Public page content is for research catalog reference and does not replace supplier-issued safety documentation.
![3-[2-(Ethylsulfanyl)ethyl] 6-methyl 4-(3-bromo-5-ethoxy-4-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate molecular structure, CAS 1005176-04-4](/structure-images/1005176-04-4.png?v=struct-v2)