Research chemical
CAS Number: 309727-20-6
![17-(3-Chloro-4-methylphenyl)-1-ethyl-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (non-preferred name) molecular structure, CAS 309727-20-6](/structure-images/309727-20-6.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
2887622
Exact Mass
427.133907
InChIKey
UDGLRUCKYKVVIR-UHFFFAOYSA-N
IUPAC Name
17-(3-chloro-4-methylphenyl)-1-ethyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
SMILES String
CCC12c3ccccc3C(c3ccccc31)C1C(=O)N(c3ccc(C)c(Cl)c3)C(=O)C12
No physical property values available.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
17-(3-Chloro-4-methylphenyl)-1-ethyl-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (non-preferred name) is identified by CAS 309727-20-6, with molecular formula C27H22ClNO2, molecular weight 427.9, InChIKey UDGLRUCKYKVVIR-UHFFFAOYSA-N.
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Availability, pack size, lead time, and pricing are confirmed through RFQ.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
31
H-bond acceptors
3
H-bond donors
0
Rotatable bonds
2
Ring count
7
Aromatic rings
3
Topological polar surface area
37.38 Ų
Computed LogP
5.61
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
17-(3-Chloro-4-methylphenyl)-1-ethyl-17-azapentacyclo[6. 6. 5. 0~2,7~. 0~9,14~.
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.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.