Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
What are the key identifiers for 1H-Pyrrole-3-carboxylic acid, 5-(5-cyano-1,2,3,4-tetrahydro-6-mercapto-4-oxo-1-phenyl-2-pyrimidinyl)-4-[(2,5-dichlorophenyl)methyl]-2-methyl-, methyl ester (CAS 1049127-40-3)?
1H-Pyrrole-3-carboxylic acid, 5-(5-cyano-1,2,3,4-tetrahydro-6-mercapto-4-oxo-1-phenyl-2-pyrimidinyl)-4-[(2,5-dichlorophenyl)methyl]-2-methyl-, methyl ester is identified by CAS 1049127-40-3, with molecular formula C25H20Cl2N4O3S, molecular weight 527.4, InChIKey APUORXNYFKPTQW-UHFFFAOYSA-N.
Can I request a COA for CAS 1049127-40-3?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for 1H-Pyrrole-3-carboxylic acid, 5-(5-cyano-1,2,3,4-tetrahydro-6-mercapto-4-oxo-1-phenyl-2-pyrimidinyl)-4-[(2,5-dichlorophenyl)methyl]-2-methyl-, methyl ester?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 1049127-40-3 available for quotation?
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Molecular formula
C25H20Cl2N4O3S
Molecular weight
527.4 g/mol
Product type
Research-use catalog compound
Documentation
COA / SDS available by request
For laboratory research and professional procurement workflows.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Computed Structure Descriptors
Show calculated structure fields
Heavy atom count
35
H-bond acceptors
7
H-bond donors
2
Rotatable bonds
5
Ring count
4
Aromatic rings
3
Topological polar surface area
98.22 Ų
Computed LogP
5.31
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.
Catalog Facts
Structural features
40 g/mol, PubChem CID 43844975.
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.
![1H-Pyrrole-3-carboxylic acid, 5-(5-cyano-1,2,3,4-tetrahydro-6-mercapto-4-oxo-1-phenyl-2-pyrimidinyl)-4-[(2,5-dichlorophenyl)methyl]-2-methyl-, methyl ester molecular structure, CAS 1049127-40-3](/structure-images/1049127-40-3.png?v=struct-v3)