Research chemical
CAS Number: 1010895-59-6
![2,2-dimethyl-9-[2-(morpholin-4-yl)ethyl]-5-(pyrrolidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-8(9H)-one molecular structure, CAS 1010895-59-6](/structure-images/1010895-59-6.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
42649759
Exact Mass
470.21001
InChIKey
ZVICJFVBLNYQLD-UHFFFAOYSA-N
IUPAC Name
4,4-dimethyl-14-(2-morpholin-4-ylethyl)-8-pyrrolidin-1-yl-5-oxa-11-thia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),15-pentaen-13-one
SMILES String
CC1(C)Cc2c(c(N3CCCC3)nc3sc4c(=O)n(CCN5CCOCC5)nnc4c23)CO1
No physical property values available.
Catalog navigation
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2,2-dimethyl-9-[2-(morpholin-4-yl)ethyl]-5-(pyrrolidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-8(9H)-one is identified by CAS 1010895-59-6, with molecular formula C23H30N6O3S, molecular weight 470.6, InChIKey ZVICJFVBLNYQLD-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Ordering
Quote required
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XLogP
3.1
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
33
H-bond acceptors
9
H-bond donors
0
Rotatable bonds
4
Ring count
6
Aromatic rings
3
Topological polar surface area
85.61 Ų
Computed LogP
2.18
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
60 g/mol.
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
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