Research chemical
CAS Number: 2115742-04-4
![(S)-8-(1,4-Dimethyl-1H-1,2,3-triazol-5-yl)-3-methyl-6-(phenyl(tetrahydro-2H-pyran-4-yl)methyl)-3,6-dihydropyrido[2',3':4,5]pyrrolo[3,2-e]indazole molecular structure, CAS 2115742-04-4](/structure-images/2115742-04-4.png?v=struct-v3)
Product details
PubChem CID
137448670
Exact Mass
491.243359
InChIKey
BBKUPPVLTRGWDN-GDLZYMKVSA-N
IUPAC Name
13-(3,5-dimethyltriazol-4-yl)-5-methyl-10-[(S)-oxan-4-yl(phenyl)methyl]-4,5,10,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11(16),12,14-heptaene
SMILES String
Cc1nnn(C)c1-c1cnc2c3c4cnn(C)c4ccc3n([C@H](c3ccccc3)C3CCOCC3)c2c1
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.
(S)-8-(1,4-Dimethyl-1H-1,2,3-triazol-5-yl)-3-methyl-6-(phenyl(tetrahydro-2H-pyran-4-yl)methyl)-3,6-dihydropyrido[2',3':4,5]pyrrolo[3,2-e]indazole is identified by CAS 2115742-04-4, with molecular formula C29H29N7O, molecular weight 491.6, InChIKey BBKUPPVLTRGWDN-GDLZYMKVSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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For laboratory research and professional procurement workflows.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
37
H-bond acceptors
8
H-bond donors
0
Rotatable bonds
4
Ring count
7
Aromatic rings
6
Topological polar surface area
75.58 Ų
Computed LogP
5.2
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
(S)-8-(1,4-Dimethyl-1H-1,2,3-triazol-5-yl)-3-methyl-6-(phenyl(tetrahydro-2H-pyran-4-yl)methyl)-3,6-dihydropyrido[2',3':4,5]pyrrolo[3,2-e]indazole (CAS 2115742-04-4) is maintained as a commercial cas reference with formula C29H29N7O, molecular weight 491.
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.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.