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Computed Structure Descriptors
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What are the key identifiers for ethyl 2-[[2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 536703-81-8)?
ethyl 2-[[2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is identified by CAS 536703-81-8, with molecular formula C28H24N4O4S2, molecular weight 544.6, InChIKey UOMLKJCCRZOXMK-UHFFFAOYSA-N.
Can I request a COA for CAS 536703-81-8?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for ethyl 2-[[2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 536703-81-8 available for quotation?
Availability, pack size, lead time, and pricing are confirmed through RFQ.
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Show calculated structure fields
Heavy atom count
38
H-bond acceptors
8
H-bond donors
2
Rotatable bonds
7
Ring count
6
Aromatic rings
5
Topological polar surface area
106.08 Ų
Computed LogP
5.32
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
ethyl 2-[[2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 536703-81-8) is maintained as a commercial cas reference with formula C28H24N4O4S2, molecular weight 544.
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.
![ethyl 2-[[2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate molecular structure, CAS 536703-81-8](/structure-images/536703-81-8.png?v=struct-v2)