Research chemical
CAS Number: 312632-46-5
![4-(2,2-Dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl 2-chloro-4,5-difluorobenzoate molecular structure, CAS 312632-46-5](/structure-images/312632-46-5.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
2856522
Exact Mass
573.151842
InChIKey
ARHOEZJNQQKBDZ-UHFFFAOYSA-N
IUPAC Name
[4-(2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl] 2-chloro-4,5-difluorobenzoate
SMILES String
COc1cc(C2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)c1cc(F)c(F)cc1Cl
No physical property values available.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
4-(2,2-Dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl 2-chloro-4,5-difluorobenzoate is identified by CAS 312632-46-5, with molecular formula C33H26ClF2NO4, molecular weight 574, InChIKey ARHOEZJNQQKBDZ-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
41
H-bond acceptors
5
H-bond donors
1
Rotatable bonds
4
Ring count
6
Aromatic rings
4
Topological polar surface area
64.63 Ų
Computed LogP
8.31
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
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
4-(2,2-Dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl 2-chloro-4,5-difluorobenzoate (CAS 312632-46-5) is maintained as a commercial cas reference with formula C33H26ClF2NO4, molecular weight 574. 00 g/mol, PubChem CID 2856522.
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.
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.