For laboratory research and professional procurement workflows.
Technical identifiers
Show PubChem, InChIKey, IUPAC, and SMILES
PubChem CID
5227100
Exact Mass
409.225308
InChIKey
QZXPYAFYWRJFRQ-UHFFFAOYSA-N
SMILES String
CCCCC(=O)Oc1cc2c(C(=O)OCC)c(C)n(CCCC)c2c2ccccc12
Physical Properties
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Computed Structure Descriptors
Catalog navigation
Related Catalog Entries
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
What are the key identifiers for Ethyl 1-butyl-2-methyl-5-pentanoyloxybenzo[g]indole-3-carboxylate (CAS 4610-12-2)?
Ethyl 1-butyl-2-methyl-5-pentanoyloxybenzo[g]indole-3-carboxylate is identified by CAS 4610-12-2, with molecular formula C25H31NO4, molecular weight 409.5, InChIKey QZXPYAFYWRJFRQ-UHFFFAOYSA-N.
Can I request a COA for CAS 4610-12-2?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for Ethyl 1-butyl-2-methyl-5-pentanoyloxybenzo[g]indole-3-carboxylate?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 4610-12-2 available for quotation?
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Can MolGraph support bulk sourcing or custom synthesis review?
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Show calculated structure fields
Heavy atom count
30
H-bond acceptors
5
H-bond donors
0
Rotatable bonds
9
Ring count
3
Aromatic rings
3
Topological polar surface area
57.53 Ų
Computed LogP
6.18
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.
Catalog Facts
Structural features
Ethyl 1-butyl-2-methyl-5-pentanoyloxybenzo[g]indole-3-carboxylate (CAS 4610-12-2) is maintained as a commercial cas reference with formula C25H31NO4, molecular weight 409. 50 g/mol, PubChem CID 5227100.
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.
![Ethyl 1-butyl-2-methyl-5-pentanoyloxybenzo[g]indole-3-carboxylate molecular structure, CAS 4610-12-2](/structure-images/4610-12-2.png?v=struct-v2)