Research chemical
CAS Number: 136038-50-1
![1-(4-Methoxyphenyl)-2-[(dimethylamino)methyl]-5-[3-cyano-4-(phenylamino)pyridin-2-yloxy]-1H-indole-3-carboxylic acid ethyl ester molecular structure, CAS 136038-50-1](/structure-images/136038-50-1.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
1736190
Exact Mass
561.237604
InChIKey
OHDAQNZQVFOVLH-UHFFFAOYSA-N
IUPAC Name
ethyl 5-[(4-anilino-3-cyano-2-pyridinyl)oxy]-2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)indole-3-carboxylate
SMILES String
CCOC(=O)c1c(CN(C)C)n(-c2ccc(OC)cc2)c2ccc(Oc3nccc(Nc4ccccc4)c3C#N)cc12
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.
1-(4-Methoxyphenyl)-2-[(dimethylamino)methyl]-5-[3-cyano-4-(phenylamino)pyridin-2-yloxy]-1H-indole-3-carboxylic acid ethyl ester is identified by CAS 136038-50-1, with molecular formula C33H31N5O4, molecular weight 561.6, InChIKey OHDAQNZQVFOVLH-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
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
42
H-bond acceptors
9
H-bond donors
1
Rotatable bonds
10
Ring count
5
Aromatic rings
5
Topological polar surface area
101.64 Ų
Computed LogP
6.68
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
1-(4-Methoxyphenyl)-2-[(dimethylamino)methyl]-5-[3-cyano-4-(phenylamino)pyridin-2-yloxy]-1H-indole-3-carboxylic acid ethyl ester (CAS 136038-50-1) is maintained as a commercial cas reference with formula C33H31N5O4, molecular weight 561.
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.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.